 Entering Gaussian System, Link 0=g16
 Input=09_L-alanine_conformer03_M11_augccpVDZr.in
 Output=09_L-alanine_conformer03_M11_augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/09_L-alanine/Gau-31382.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/09_L-alanine/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     31384.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=09_L-alanine_conformer03_M11_augccpVDZr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 19:07:39 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "09_L-alanine_conformer03_M11_augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.234360000000      1.227627000000      0.493636000000
  C                                                -0.619746000000      0.176499000000     -0.427789000000
  C                                                 0.874662000000      0.040013000000     -0.091045000000
  O                                                 1.684560000000      0.876942000000     -0.381380000000
  N                                                -1.288697000000     -1.120012000000     -0.254191000000
  O                                                 1.182025000000     -1.074891000000      0.583386000000
  H                                                -0.668029000000      0.537376000000     -1.458500000000
  H                                                -2.272687000000      1.417776000000      0.215233000000
  H                                                -1.207375000000      0.889403000000      1.531687000000
  H                                                -0.678004000000      2.159964000000      0.419739000000
  H                                                -2.241749000000     -1.012991000000      0.067124000000
  H                                                -1.305328000000     -1.656641000000     -1.112376000000
  H                                                 0.338033000000     -1.576061000000      0.651570000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     13 NQM=       13 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          14          16           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  14.0030740  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           2           0           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   4.5500000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   7.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Thu Aug 12 19:07:39 2021, MaxMem=  6442450944 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.234360    1.227627    0.493636
      2          6           0       -0.619746    0.176499   -0.427789
      3          6           0        0.874662    0.040013   -0.091045
      4          8           0        1.684560    0.876942   -0.381380
      5          7           0       -1.288697   -1.120012   -0.254191
      6          8           0        1.182025   -1.074891    0.583386
      7          1           0       -0.668029    0.537376   -1.458500
      8          1           0       -2.272687    1.417776    0.215233
      9          1           0       -1.207375    0.889403    1.531687
     10          1           0       -0.678004    2.159964    0.419739
     11          1           0       -2.241749   -1.012991    0.067124
     12          1           0       -1.305328   -1.656641   -1.112376
     13          1           0        0.338033   -1.576061    0.651570
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.526972   0.000000
     3  C    2.490031   1.537947   0.000000
     4  O    3.067365   2.408859   1.200283   0.000000
     5  N    2.464469   1.469208   2.460162   3.583889   0.000000
     6  O    3.338946   2.415539   1.338783   2.234495   2.609222
     7  H    2.146628   1.093128   2.120660   2.609630   2.140683
     8  H    1.091690   2.164823   3.449325   4.038348   2.762058
     9  H    1.092096   2.166353   2.773013   3.467459   2.689558
    10  H    1.088230   2.157737   2.676913   2.805289   3.403729
    11  H    2.493414   2.071405   3.293304   4.380514   1.011437
    12  H    3.302016   2.073423   2.945184   3.986581   1.012289
    13  H    3.218389   2.270203   1.857725   2.982842   1.916934
                    6          7          8          9         10
     6  O    0.000000
     7  H    3.192398   0.000000
     8  H    4.275975   2.480204   0.000000
     9  H    3.235268   3.058764   1.774012   0.000000
    10  H    3.735074   2.482070   1.770785   1.769460   0.000000
    11  H    3.463031   2.684727   2.435472   2.614188   3.554895
    12  H    3.066100   2.310771   3.485738   3.671921   4.160215
    13  H    0.983943   3.151376   3.996162   3.039968   3.878654
                   11         12         13
    11  H    0.000000
    12  H    1.637800   0.000000
    13  H    2.704422   2.412184   0.000000
 Stoichiometry    C3H7NO2
 Framework group  C1[X(C3H7NO2)]
 Deg. of freedom    33
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.61D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.234360    1.227627    0.493636
      2          6           0       -0.619746    0.176499   -0.427789
      3          6           0        0.874662    0.040013   -0.091045
      4          8           0        1.684560    0.876942   -0.381380
      5          7           0       -1.288697   -1.120012   -0.254191
      6          8           0        1.182025   -1.074891    0.583386
      7          1           0       -0.668029    0.537376   -1.458500
      8          1           0       -2.272687    1.417776    0.215233
      9          1           0       -1.207375    0.889403    1.531687
     10          1           0       -0.678004    2.159964    0.419739
     11          1           0       -2.241749   -1.012991    0.067124
     12          1           0       -1.305328   -1.656641   -1.112376
     13          1           0        0.338033   -1.576061    0.651570
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.9962844           3.2162425           2.3194998
 Leave Link  202 at Thu Aug 12 19:07:40 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       7      8      9     10     11     12     13
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4      6
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  18 primitive shells out of 224 were deleted.
 There are   213 symmetry adapted cartesian basis functions of A   symmetry.
 There are   201 symmetry adapted basis functions of A   symmetry.
   201 basis functions,   366 primitive gaussians,   213 cartesian basis functions
    24 alpha electrons       24 beta electrons
       nuclear repulsion energy       250.8298141574 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   13 NActive=   13 NUniq=   13 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 19:07:42 2021, MaxMem=  6442450944 cpu:              14.1 elap:               1.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   201 RedAO= T EigKep=  2.16D-05  NBF=   201
 NBsUse=   201 1.00D-06 EigRej= -1.00D+00 NBFU=   201
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   213   213   213   213   213 MxSgAt=    13 MxSgA2=    13.
 Leave Link  302 at Thu Aug 12 19:07:43 2021, MaxMem=  6442450944 cpu:               2.2 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 19:07:43 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "09_L-alanine_conformer03_M11_augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000   -0.000000
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 19:07:44 2021, MaxMem=  6442450944 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6442356359 LenY=  6442310549
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -323.633745572005    
 DIIS: error= 3.02D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -323.633745572005     IErMin= 1 ErrMin= 3.02D-03
 ErrMax= 3.02D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.02D-02 BMatP= 1.02D-02
 IDIUse=3 WtCom= 9.70D-01 WtEn= 3.02D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.453 Goal=   None    Shift=    0.000
 GapD=    0.453 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=8.90D-03 MaxDP=2.89D-01              OVMax= 1.75D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.87D-03    CP:  9.76D-01
 E= -323.643181747850     Delta-E=       -0.009436175845 Rises=F Damp=F
 DIIS: error= 1.23D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -323.643181747850     IErMin= 2 ErrMin= 1.23D-03
 ErrMax= 1.23D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.93D-04 BMatP= 1.02D-02
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.23D-02
 Coeff-Com:  0.193D-01 0.981D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.190D-01 0.981D+00
 Gap=     0.358 Goal=   None    Shift=    0.000
 RMSDP=1.42D-03 MaxDP=5.31D-02 DE=-9.44D-03 OVMax= 8.37D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.43D-04    CP:  9.78D-01  1.13D+00
 E= -323.643458643973     Delta-E=       -0.000276896123 Rises=F Damp=F
 DIIS: error= 1.02D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -323.643458643973     IErMin= 3 ErrMin= 1.02D-03
 ErrMax= 1.02D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.50D-04 BMatP= 5.93D-04
 IDIUse=3 WtCom= 9.90D-01 WtEn= 1.02D-02
 Coeff-Com: -0.531D-01 0.507D+00 0.546D+00
 Coeff-En:   0.000D+00 0.270D+00 0.730D+00
 Coeff:     -0.526D-01 0.505D+00 0.548D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=2.88D-04 MaxDP=9.76D-03 DE=-2.77D-04 OVMax= 4.27D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.85D-04    CP:  9.78D-01  1.15D+00  1.10D+00
 E= -323.643822494389     Delta-E=       -0.000363850416 Rises=F Damp=F
 DIIS: error= 1.22D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -323.643822494389     IErMin= 4 ErrMin= 1.22D-04
 ErrMax= 1.22D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.02D-05 BMatP= 5.50D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.22D-03
 Coeff-Com: -0.113D-01 0.369D-01 0.108D+00 0.866D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.113D-01 0.369D-01 0.108D+00 0.866D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=1.18D-04 MaxDP=3.96D-03 DE=-3.64D-04 OVMax= 1.14D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.18D-05    CP:  9.77D-01  1.16D+00  1.17D+00  1.15D+00
 E= -323.643832928034     Delta-E=       -0.000010433645 Rises=F Damp=F
 DIIS: error= 6.56D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -323.643832928034     IErMin= 5 ErrMin= 6.56D-05
 ErrMax= 6.56D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.85D-06 BMatP= 1.02D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.297D-02-0.594D-01-0.373D-01 0.413D+00 0.681D+00
 Coeff:      0.297D-02-0.594D-01-0.373D-01 0.413D+00 0.681D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=4.13D-05 MaxDP=1.34D-03 DE=-1.04D-05 OVMax= 6.32D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.38D-05    CP:  9.77D-01  1.16D+00  1.19D+00  1.23D+00  1.26D+00
 E= -323.643836311700     Delta-E=       -0.000003383667 Rises=F Damp=F
 DIIS: error= 2.19D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -323.643836311700     IErMin= 6 ErrMin= 2.19D-05
 ErrMax= 2.19D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.51D-07 BMatP= 3.85D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.257D-02-0.295D-01-0.295D-01 0.862D-01 0.289D+00 0.682D+00
 Coeff:      0.257D-02-0.295D-01-0.295D-01 0.862D-01 0.289D+00 0.682D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=1.14D-05 MaxDP=4.91D-04 DE=-3.38D-06 OVMax= 1.82D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.40D-06    CP:  9.77D-01  1.16D+00  1.19D+00  1.24D+00  1.34D+00
                    CP:  1.20D+00
 E= -323.643836645807     Delta-E=       -0.000000334107 Rises=F Damp=F
 DIIS: error= 4.55D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -323.643836645807     IErMin= 7 ErrMin= 4.55D-06
 ErrMax= 4.55D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.96D-08 BMatP= 3.51D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.150D-03 0.178D-02-0.137D-02-0.378D-01-0.299D-01 0.147D+00
 Coeff-Com:  0.921D+00
 Coeff:      0.150D-03 0.178D-02-0.137D-02-0.378D-01-0.299D-01 0.147D+00
 Coeff:      0.921D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=6.28D-06 MaxDP=3.53D-04 DE=-3.34D-07 OVMax= 8.36D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.82D-06    CP:  9.77D-01  1.16D+00  1.19D+00  1.24D+00  1.38D+00
                    CP:  1.30D+00  1.17D+00
 E= -323.643836681137     Delta-E=       -0.000000035330 Rises=F Damp=F
 DIIS: error= 1.84D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -323.643836681137     IErMin= 8 ErrMin= 1.84D-06
 ErrMax= 1.84D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.72D-09 BMatP= 1.96D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.144D-03 0.242D-02 0.194D-02-0.146D-01-0.267D-01-0.219D-01
 Coeff-Com:  0.191D+00 0.868D+00
 Coeff:     -0.144D-03 0.242D-02 0.194D-02-0.146D-01-0.267D-01-0.219D-01
 Coeff:      0.191D+00 0.868D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=1.43D-06 MaxDP=3.93D-05 DE=-3.53D-08 OVMax= 2.54D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  7.32D-07    CP:  9.77D-01  1.16D+00  1.18D+00  1.24D+00  1.38D+00
                    CP:  1.31D+00  1.23D+00  1.29D+00
 E= -323.643836683961     Delta-E=       -0.000000002824 Rises=F Damp=F
 DIIS: error= 6.13D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -323.643836683961     IErMin= 9 ErrMin= 6.13D-07
 ErrMax= 6.13D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.56D-10 BMatP= 1.72D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.639D-04 0.633D-03 0.888D-03-0.108D-02-0.583D-02-0.269D-01
 Coeff-Com: -0.405D-01 0.324D+00 0.749D+00
 Coeff:     -0.639D-04 0.633D-03 0.888D-03-0.108D-02-0.583D-02-0.269D-01
 Coeff:     -0.405D-01 0.324D+00 0.749D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=4.35D-07 MaxDP=1.31D-05 DE=-2.82D-09 OVMax= 9.97D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.39D-07    CP:  9.77D-01  1.16D+00  1.18D+00  1.24D+00  1.38D+00
                    CP:  1.31D+00  1.25D+00  1.40D+00  1.09D+00
 E= -323.643836684452     Delta-E=       -0.000000000491 Rises=F Damp=F
 DIIS: error= 1.55D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -323.643836684452     IErMin=10 ErrMin= 1.55D-07
 ErrMax= 1.55D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.04D-11 BMatP= 3.56D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.594D-05-0.173D-03-0.647D-04 0.152D-02 0.246D-02-0.167D-02
 Coeff-Com: -0.254D-01-0.552D-01 0.959D-01 0.983D+00
 Coeff:      0.594D-05-0.173D-03-0.647D-04 0.152D-02 0.246D-02-0.167D-02
 Coeff:     -0.254D-01-0.552D-01 0.959D-01 0.983D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=2.15D-07 MaxDP=7.97D-06 DE=-4.91D-10 OVMax= 3.75D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  9.52D-08    CP:  9.77D-01  1.16D+00  1.18D+00  1.24D+00  1.38D+00
                    CP:  1.31D+00  1.25D+00  1.43D+00  1.19D+00  1.39D+00
 E= -323.643836684510     Delta-E=       -0.000000000058 Rises=F Damp=F
 DIIS: error= 5.90D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -323.643836684510     IErMin=11 ErrMin= 5.90D-08
 ErrMax= 5.90D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.04D-12 BMatP= 2.04D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.794D-05-0.102D-03-0.106D-03 0.421D-03 0.111D-02 0.207D-02
 Coeff-Com: -0.171D-02-0.425D-01-0.482D-01 0.207D+00 0.882D+00
 Coeff:      0.794D-05-0.102D-03-0.106D-03 0.421D-03 0.111D-02 0.207D-02
 Coeff:     -0.171D-02-0.425D-01-0.482D-01 0.207D+00 0.882D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=6.37D-08 MaxDP=2.94D-06 DE=-5.78D-11 OVMax= 1.20D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.38D-08    CP:  9.77D-01  1.16D+00  1.18D+00  1.24D+00  1.38D+00
                    CP:  1.31D+00  1.25D+00  1.44D+00  1.22D+00  1.52D+00
                    CP:  1.16D+00
 E= -323.643836684515     Delta-E=       -0.000000000005 Rises=F Damp=F
 DIIS: error= 1.61D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -323.643836684515     IErMin=12 ErrMin= 1.61D-08
 ErrMax= 1.61D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.88D-13 BMatP= 2.04D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.559D-06 0.276D-05-0.106D-04-0.929D-04-0.770D-04 0.465D-03
 Coeff-Com:  0.232D-02-0.790D-03-0.176D-01-0.732D-01 0.143D+00 0.946D+00
 Coeff:      0.559D-06 0.276D-05-0.106D-04-0.929D-04-0.770D-04 0.465D-03
 Coeff:      0.232D-02-0.790D-03-0.176D-01-0.732D-01 0.143D+00 0.946D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=1.84D-08 MaxDP=6.98D-07 DE=-5.46D-12 OVMax= 4.48D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  8.49D-09    CP:  9.77D-01  1.16D+00  1.18D+00  1.24D+00  1.38D+00
                    CP:  1.31D+00  1.25D+00  1.44D+00  1.22D+00  1.55D+00
                    CP:  1.24D+00  1.24D+00
 E= -323.643836684506     Delta-E=        0.000000000009 Rises=F Damp=F
 DIIS: error= 5.81D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -323.643836684515     IErMin=13 ErrMin= 5.81D-09
 ErrMax= 5.81D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.58D-14 BMatP= 1.88D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.604D-06 0.932D-05 0.774D-05-0.527D-04-0.109D-03-0.110D-03
 Coeff-Com:  0.561D-03 0.369D-02 0.145D-02-0.310D-01-0.543D-01 0.156D+00
 Coeff-Com:  0.924D+00
 Coeff:     -0.604D-06 0.932D-05 0.774D-05-0.527D-04-0.109D-03-0.110D-03
 Coeff:      0.561D-03 0.369D-02 0.145D-02-0.310D-01-0.543D-01 0.156D+00
 Coeff:      0.924D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=5.19D-09 MaxDP=2.29D-07 DE= 9.32D-12 OVMax= 1.41D-07

 SCF Done:  E(RM11) =  -323.643836685     A.U. after   13 cycles
            NFock= 13  Conv=0.52D-08     -V/T= 2.0070
 KE= 3.213825373109D+02 PE=-1.258544542673D+03 EE= 3.626883545205D+02
 Leave Link  502 at Thu Aug 12 19:08:56 2021, MaxMem=  6442450944 cpu:             577.9 elap:              72.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   201
 NBasis=   201 NAE=    24 NBE=    24 NFC=     0 NFV=     0
 NROrb=    201 NOA=    24 NOB=    24 NVA=   177 NVB=   177

 **** Warning!!: The largest alpha MO coefficient is  0.45240653D+02

 Leave Link  801 at Thu Aug 12 19:08:57 2021, MaxMem=  6442450944 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4015 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          13
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 7.08D-14 8.33D-09 XBig12= 1.00D+00 1.73D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 7.08D-14 8.33D-09 XBig12= 1.44D-01 5.95D-02.
     11 vectors produced by pass  2 Test12= 7.08D-14 8.33D-09 XBig12= 2.04D-02 2.23D-02.
     11 vectors produced by pass  3 Test12= 7.08D-14 8.33D-09 XBig12= 1.67D-03 6.97D-03.
     11 vectors produced by pass  4 Test12= 7.08D-14 8.33D-09 XBig12= 5.09D-05 1.30D-03.
     11 vectors produced by pass  5 Test12= 7.08D-14 8.33D-09 XBig12= 1.64D-06 2.28D-04.
     11 vectors produced by pass  6 Test12= 7.08D-14 8.33D-09 XBig12= 3.34D-08 2.50D-05.
     11 vectors produced by pass  7 Test12= 7.08D-14 8.33D-09 XBig12= 6.56D-10 3.95D-06.
     11 vectors produced by pass  8 Test12= 7.08D-14 8.33D-09 XBig12= 1.31D-11 4.80D-07.
      8 vectors produced by pass  9 Test12= 7.08D-14 8.33D-09 XBig12= 1.86D-13 5.93D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.42D-14
 Solved reduced A of dimension   107 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.604266D+02
      2  0.220322D+01  0.585276D+02
      3 -0.318072D+00 -0.249530D+01  0.480744D+02
 Isotropic polarizability for W=    0.093368       55.68 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.388521D+02  0.323089D+01 -0.369868D+01
      2   0.195454D+02  0.828043D+01  0.330092D+01
      3   0.193067D+02 -0.115113D+02  0.397763D+00
      4   0.226405D+02 -0.270547D+02 -0.176303D+02
      5  -0.155028D+01 -0.176327D+02 -0.339834D+02
      6  -0.108862D+02  0.439583D+01  0.829501D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1   0.288333D+01 -0.217578D+01 -0.725940D+01
      2   0.299048D+00 -0.574464D+01 -0.176872D+02
      3  -0.508757D-01  0.125486D+02  0.278460D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1  -0.238363D-02  0.109490D+01 -0.198063D+02
      2  -0.214841D+01 -0.674411D+01 -0.532900D+02
      3   0.194096D+02  0.466000D+02  0.674650D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1  -0.148061D+01  0.337495D+00  0.177798D+01
      2   0.337495D+00  0.114794D+01  0.448404D+00
      3   0.177798D+01  0.448404D+00  0.255969D+00
 OR G Eigenvalues:    -2.5916     0.6879     1.8270  Iso=     0.0256
 Eigenvectors:
   (1)   0.849102  -0.013312  -0.528062
   (2)  -0.327126   0.771663  -0.545458
   (3)   0.414747   0.635892   0.650866
 w=    0.093368 a.u., Optical Rotation Beta=      0.0256 au.
 Molar Mass =     89.0938 grams/mole, [Alpha] ( 4880.0 A) =       16.18 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   20301 ScalPx= 6.92D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   20301 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.92D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.18D-14 2.78D-09 XBig12= 1.00D+00 5.08D-01.
     30 vectors produced by pass  1 Test12= 1.18D-14 2.78D-09 XBig12= 2.22D-02 2.13D-02.
     30 vectors produced by pass  2 Test12= 1.18D-14 2.78D-09 XBig12= 7.43D-04 4.51D-03.
     30 vectors produced by pass  3 Test12= 1.18D-14 2.78D-09 XBig12= 9.42D-06 4.02D-04.
     30 vectors produced by pass  4 Test12= 1.18D-14 2.78D-09 XBig12= 9.97D-08 4.15D-05.
     30 vectors produced by pass  5 Test12= 1.18D-14 2.78D-09 XBig12= 9.76D-10 4.02D-06.
     30 vectors produced by pass  6 Test12= 1.18D-14 2.78D-09 XBig12= 9.41D-12 4.04D-07.
     30 vectors produced by pass  7 Test12= 1.18D-14 2.78D-09 XBig12= 6.51D-14 3.18D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.22D-15
 Solved reduced A of dimension   240 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   20301 ScalPx= 2.01D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   20301 ScalPx= 2.01D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   20301 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.22D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.604266D+02  0.220322D+01 -0.318072D+00
      2   0.220322D+01  0.585276D+02 -0.249530D+01
      3  -0.318072D+00 -0.249530D+01  0.480744D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.288333D+01 -0.217578D+01 -0.725940D+01
      2   0.299048D+00 -0.574464D+01 -0.176872D+02
      3  -0.508757D-01  0.125486D+02  0.278460D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.388521D+02  0.323089D+01 -0.369868D+01
      2   0.195454D+02  0.828043D+01  0.330092D+01
      3   0.193067D+02 -0.115113D+02  0.397763D+00
      4   0.226405D+02 -0.270547D+02 -0.176303D+02
      5  -0.155028D+01 -0.176327D+02 -0.339834D+02
      6  -0.108862D+02  0.439583D+01  0.829501D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.654652D+01 -0.237234D+01  0.171999D+01 -0.906732D+00 -0.335516D+01
      2  -0.237234D+01 -0.347379D+01 -0.992401D+00 -0.335516D+01 -0.263227D+01
      3   0.171999D+01 -0.992401D+00 -0.469865D+00 -0.127584D+01  0.114535D+01
                 6             7             8             9            10 
      1  -0.127584D+01  0.338865D+01 -0.153404D+01 -0.429553D+00 -0.432923D+01
      2   0.114535D+01 -0.153404D+01  0.174343D+01  0.238646D+01  0.535905D+00
      3   0.277012D+01 -0.429553D+00  0.238646D+01 -0.565612D+01 -0.110083D+01
                11            12            13            14            15 
      1   0.535905D+00 -0.110083D+01 -0.495952D+00  0.264649D+01  0.142526D+01
      2   0.265522D+01  0.830253D+00  0.264649D+01  0.792391D+00 -0.746951D-01
      3   0.830253D+00  0.438018D+00  0.142526D+01 -0.746951D-01 -0.318452D+01
                16            17            18            19            20 
      1  -0.252056D+01  0.102024D+01  0.510029D+00  0.135061D+01 -0.199308D+01
      2   0.102024D+01 -0.481311D+00 -0.368634D+01 -0.199308D+01 -0.204496D+01
      3   0.510029D+00 -0.368634D+01  0.571145D+01  0.181314D+01  0.840555D+00
                21            22            23            24            25 
      1   0.181314D+01 -0.352936D+01 -0.272877D+01  0.965766D+00  0.239066D+01
      2   0.840555D+00 -0.272877D+01 -0.165458D+01  0.215226D-01  0.110865D+01
      3   0.774527D-01  0.965766D+00  0.215226D-01 -0.212195D+00 -0.218218D+00
                26            27            28            29            30 
      1   0.110865D+01 -0.218218D+00  0.847015D+01  0.403760D+01 -0.203770D+01
      2  -0.141357D+00  0.487415D+00  0.403760D+01  0.351585D+01 -0.880401D+00
      3   0.487415D+00 -0.547404D+00 -0.203770D+01 -0.880401D+00  0.170677D+01
                31            32            33            34            35 
      1   0.442723D+01  0.362029D+01 -0.687990D+00 -0.170491D+01 -0.505120D+00
      2   0.362029D+01  0.699644D+01 -0.119240D+01 -0.505120D+00 -0.886153D+00
      3  -0.687990D+00 -0.119240D+01  0.187605D+01  0.281116D+01  0.212096D+01
                36            37            38            39            40 
      1   0.281116D+01  0.482620D+01 -0.680096D+00 -0.680831D+00 -0.847427D+00
      2   0.212096D+01 -0.680096D+00 -0.112533D+01  0.554411D+00 -0.120042D+01
      3  -0.227030D+01 -0.680831D+00  0.554411D+00 -0.275253D+00  0.333747D+00
                41            42            43            44            45 
      1  -0.120042D+01  0.333747D+00 -0.871382D+00  0.852056D+00 -0.214795D+00
      2  -0.323864D+01  0.122269D+01  0.852056D+00  0.300109D+01  0.228104D+01
      3   0.122269D+01  0.232893D+01 -0.214795D+00  0.228104D+01  0.232501D+01
                46            47            48            49            50 
      1   0.616301D+01 -0.943065D+00  0.185532D+01  0.188515D+01  0.252852D+01
      2  -0.943065D+00  0.282863D+01 -0.919506D+00  0.252852D+01 -0.356032D+01
      3   0.185532D+01 -0.919506D+00  0.106307D+01 -0.102190D+00  0.749419D+00
                51            52            53            54            55 
      1  -0.102190D+00  0.413731D+00 -0.929697D+00  0.956142D+00  0.150280D+00
      2   0.749419D+00 -0.929697D+00  0.894482D+00 -0.179719D+01  0.391451D+00
      3  -0.545112D+00  0.956142D+00 -0.179719D+01  0.253658D+01 -0.108237D+01
                56            57            58            59            60 
      1   0.391451D+00 -0.108237D+01  0.620769D+00 -0.515743D+00 -0.118322D+00
      2  -0.516940D+00 -0.142202D+00 -0.515743D+00  0.179481D+01 -0.161130D+01
      3  -0.142202D+00 -0.403717D+00 -0.118322D+00 -0.161130D+01  0.226997D+01
                61            62            63            64            65 
      1  -0.118042D+01 -0.182733D+00 -0.332136D+00 -0.956999D+01  0.265646D+01
      2  -0.182733D+00 -0.215840D+01  0.216762D+01  0.265646D+01 -0.195408D+01
      3  -0.332136D+00  0.216762D+01 -0.831510D+01 -0.738616D+00  0.665740D-01
                66            67            68            69            70 
      1  -0.738616D+00  0.137342D+01 -0.134468D+01  0.293690D+00 -0.209429D+01
      2   0.665740D-01 -0.134468D+01  0.160050D+01 -0.335553D+00  0.635098D+00
      3  -0.137813D+01  0.293690D+00 -0.335553D+00 -0.281312D-02 -0.120596D+01
                71            72            73            74            75 
      1   0.635098D+00 -0.120596D+01 -0.728200D+00  0.100458D+00  0.867216D+00
      2  -0.911616D+00  0.918110D-01  0.100458D+00  0.469612D+00  0.167431D+00
      3   0.918110D-01 -0.158459D+00  0.867216D+00  0.167431D+00  0.114612D+00
                76            77            78            79            80 
      1  -0.442818D+00  0.345734D+00  0.389196D+00  0.119248D+01 -0.303073D-01
      2   0.345734D+00 -0.549100D+00  0.884678D+00 -0.303073D-01  0.153342D+01
      3   0.389196D+00  0.884678D+00 -0.199248D+01 -0.735386D+00 -0.306427D+00
                81            82            83            84            85 
      1  -0.735386D+00  0.111520D+01  0.145162D+01 -0.179816D+00  0.172232D+01
      2  -0.306427D+00  0.145162D+01  0.297116D+01  0.436092D+00  0.169555D+01
      3   0.837807D+01 -0.179816D+00  0.436092D+00  0.835127D+00  0.115238D+00
                86            87            88            89            90 
      1   0.169555D+01  0.115238D+00 -0.445864D+00  0.258095D+00  0.374074D+00
      2   0.746050D+01  0.329962D+00  0.258095D+00 -0.390823D+00  0.803336D+00
      3   0.329962D+00  0.917031D+00  0.374074D+00  0.803336D+00  0.489804D+00
                91            92            93            94            95 
      1  -0.867110D+01 -0.140562D+01  0.106093D+01 -0.184536D+00 -0.590616D+00
      2  -0.140562D+01 -0.158944D+01 -0.211827D+00 -0.590616D+00 -0.263673D+00
      3   0.106093D+01 -0.211827D+00 -0.126286D+01 -0.340023D+00  0.136760D+00
                96            97            98            99           100 
      1  -0.340023D+00  0.261511D+01 -0.289558D-01 -0.749603D+00 -0.465368D+00
      2   0.136760D+00 -0.289558D-01  0.544048D+00 -0.333803D+00 -0.755607D+00
      3  -0.620217D-01 -0.749603D+00 -0.333803D+00  0.554714D+00 -0.538663D+00
               101           102           103           104           105 
      1  -0.755607D+00 -0.538663D+00 -0.105624D+01 -0.815784D+00 -0.758730D+00
      2  -0.257845D+00 -0.394425D+00 -0.815784D+00 -0.354519D+01 -0.218402D+01
      3  -0.394425D+00  0.200975D+00 -0.758730D+00 -0.218402D+01 -0.299855D+01
               106           107           108           109           110 
      1  -0.118292D+01 -0.875316D+00 -0.756298D+00 -0.485808D+01 -0.102368D+01
      2  -0.875316D+00 -0.362220D+01 -0.343452D+01 -0.102368D+01 -0.147809D+01
      3  -0.756298D+00 -0.343452D+01 -0.431718D+01 -0.957786D+00  0.645446D+00
               111           112           113           114           115 
      1  -0.957786D+00 -0.256583D+01 -0.285424D+00 -0.239809D+00 -0.282060D-03
      2   0.645446D+00 -0.285424D+00 -0.320088D+01  0.907604D+00  0.212025D+00
      3  -0.646204D+00 -0.239809D+00  0.907604D+00 -0.116441D+01 -0.945005D-02
               116           117 
      1   0.212025D+00 -0.945005D-02
      2   0.875393D+00 -0.780354D+00
      3  -0.780354D+00  0.126893D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.397156D+01 -0.896541D+00  0.151250D-01  0.820931D+00 -0.497102D+01
      2  -0.544882D+01  0.355227D+01  0.228727D+01  0.369404D+01  0.270187D+00
      3   0.475139D+01 -0.106534D+02  0.100613D+01 -0.430457D+01 -0.107075D+02
                 6             7             8             9            10 
      1  -0.675261D+01 -0.199077D+00 -0.407838D+00  0.958203D+01  0.504612D+00
      2  -0.328249D+01 -0.232288D+01 -0.256362D+01  0.763362D+01 -0.454442D+01
      3  -0.611993D+00  0.150123D+01  0.148476D+00  0.329323D+01 -0.284215D+01
                11            12            13            14            15 
      1  -0.916585D+00  0.173961D+01  0.634234D+00 -0.206403D+01  0.201213D+01
      2   0.182473D+01  0.297794D+01 -0.114930D+01  0.133676D+01  0.147476D+01
      3  -0.239096D+01 -0.235332D+01  0.286304D+01  0.447524D+01 -0.172936D+01
                16            17            18            19            20 
      1  -0.129389D+00  0.509782D+01 -0.753564D+00  0.202796D+01  0.155428D+00
      2  -0.548491D+01  0.258295D+01 -0.200840D+01  0.441879D+01 -0.342322D+01
      3  -0.109439D+01 -0.198583D+00 -0.200106D+01 -0.218554D+01  0.473091D+01
                21            22            23            24            25 
      1   0.204804D+01 -0.286794D+01  0.748603D+01  0.288360D+01 -0.357615D+01
      2  -0.617865D+01 -0.669081D+01  0.633549D+00 -0.301458D+01 -0.142687D+02
      3   0.158170D+01  0.801329D+01  0.455500D+01  0.141451D+01  0.504284D+01
                26            27            28            29            30 
      1   0.716294D+01 -0.741152D+01 -0.752746D+00 -0.209042D+01 -0.422937D+01
      2   0.132033D+01 -0.153889D+01  0.118434D+01  0.248505D+00  0.874929D+01
      3  -0.941314D-02  0.125158D+01  0.139823D+01 -0.104519D+02  0.794850D+00
                31            32            33            34            35 
      1   0.838057D+00 -0.298494D+01 -0.599443D+01  0.163609D+01  0.255320D+01
      2   0.387791D+01 -0.166911D+01  0.438273D+01  0.218481D+01  0.175023D+01
      3   0.157785D+01 -0.107869D+02  0.766811D+00 -0.132383D+01  0.119296D+01
                36            37            38            39            40 
      1   0.192109D+01 -0.200053D+01  0.231665D+01 -0.103119D+01  0.208190D+01
      2  -0.188525D+01  0.154320D+01 -0.142432D+01  0.339090D+01 -0.990968D+00
      3  -0.347168D+01 -0.107862D+02 -0.683589D+01  0.255066D+01  0.509769D+01
                41            42            43            44            45 
      1   0.526656D+01 -0.192237D+01  0.983407D+00  0.820738D+01  0.538137D+01
      2  -0.281908D+01 -0.278421D+01 -0.374981D+01 -0.376203D+01 -0.271469D+01
      3  -0.208184D+01  0.103064D+01  0.360110D+01  0.122053D+01  0.326049D+01
                46            47            48            49            50 
      1   0.295766D+01  0.249796D+01  0.324755D+01  0.308234D+01 -0.100340D+01
      2  -0.636236D+01 -0.220019D+01  0.479227D+01 -0.667520D+00  0.482239D+00
      3  -0.130241D+02 -0.943989D+01 -0.125638D+01 -0.437000D+01  0.121219D+01
                51            52            53            54            55 
      1  -0.371058D+01  0.270732D+01  0.129055D+01  0.335471D+01  0.118876D+00
      2  -0.768825D+00  0.158626D+01 -0.281119D+01  0.376599D+01  0.665927D+00
      3  -0.229940D+01 -0.260502D+01 -0.243251D+00  0.153617D+01  0.134759D+01
                56            57            58            59            60 
      1   0.132053D+00  0.252503D+00 -0.293699D+00 -0.826101D+00 -0.134807D+01
      2   0.170201D-01  0.325489D+00  0.930145D+00  0.669697D+00 -0.140295D+01
      3  -0.107192D+01 -0.152112D-02  0.146810D+01  0.493459D+00 -0.750686D+00
                61            62            63            64            65 
      1   0.654328D+00  0.255053D+01  0.338786D+01  0.147936D+01 -0.506482D+00
      2  -0.274063D+01 -0.165518D+01  0.430703D+01  0.489216D+01 -0.954935D+00
      3  -0.133377D+01 -0.138238D+01  0.637810D+00 -0.923399D+01 -0.257791D+01
                66            67            68            69            70 
      1   0.260114D+01 -0.895386D+00  0.894660D+00 -0.864498D+00  0.160653D+01
      2   0.527990D+01 -0.138149D+01  0.669410D+00 -0.463772D+00  0.118223D+01
      3  -0.136242D+01  0.145924D+01  0.962093D+00 -0.149458D+00 -0.127912D+01
                71            72            73            74            75 
      1   0.578842D+00  0.277209D+00 -0.126106D+01  0.354013D+00  0.149381D+00
      2  -0.211997D-01  0.116695D+01 -0.828265D+00 -0.739674D-01  0.898319D-01
      3  -0.121972D+01 -0.157772D+01 -0.864936D+00  0.468081D-01  0.115943D+01
                76            77            78            79            80 
      1   0.106790D+00 -0.250476D+01  0.224155D+01  0.663467D+00  0.454469D+01
      2   0.361470D+00 -0.137469D+01  0.254003D+01 -0.252537D+01  0.919372D+00
      3   0.745714D+00 -0.164500D+00  0.153640D+01  0.134842D+01  0.215010D+01
                81            82            83            84            85 
      1  -0.116944D+02  0.161166D+01  0.988361D+00 -0.201233D+01  0.880490D+00
      2  -0.108605D+02 -0.621426D+00 -0.115325D+01  0.556408D-01 -0.116246D+01
      3  -0.156326D+01  0.578586D+01  0.506868D+01 -0.323728D+00  0.725052D+01
                86            87            88            89            90 
      1   0.358066D+01 -0.331311D+01 -0.796220D+00 -0.104025D+00 -0.288414D+00
      2  -0.176818D+01 -0.617290D+00 -0.107477D+01 -0.792965D+00 -0.796590D+00
      3   0.122826D+02  0.547358D+00 -0.101332D+01  0.116132D+00  0.175805D+01
                91            92            93            94            95 
      1   0.304845D+01  0.114753D+00 -0.179426D+01 -0.479426D+00  0.633008D+00
      2  -0.223402D+01 -0.392536D+00  0.405607D+01  0.361383D+00 -0.565928D+00
      3   0.105683D+02 -0.274706D+01 -0.179460D+01 -0.142255D+00  0.886306D+00
                96            97            98            99           100 
      1  -0.224031D+00 -0.806532D+00 -0.973588D-01  0.635268D+00 -0.875637D-01
      2  -0.171081D+00  0.524000D+00  0.446218D+00 -0.145073D+01  0.286699D+00
      3   0.110247D+01 -0.447446D+01  0.176597D+01  0.216890D+00  0.763477D-01
               101           102           103           104           105 
      1  -0.167696D+00  0.345547D+00 -0.138348D+01 -0.210957D+01 -0.515639D+01
      2   0.366015D+00 -0.156928D+00  0.520876D+00  0.277857D+01  0.426857D+01
      3   0.548144D-01 -0.258623D+00  0.172974D+01 -0.355684D+01 -0.142126D+01
               106           107           108           109           110 
      1  -0.123787D+01 -0.270478D+01 -0.650617D+01 -0.367512D+01 -0.198150D+01
      2  -0.959579D+00  0.439725D+01  0.543849D+01  0.688614D+01  0.236806D+01
      3   0.101664D+01 -0.370796D+01 -0.357235D+01  0.139093D+02  0.700604D+01
               111           112           113           114           115 
      1  -0.133174D+01 -0.236278D+01 -0.151269D+00 -0.188269D+01 -0.405984D+00
      2  -0.163754D+01  0.229673D+01  0.135658D+01 -0.160908D+00 -0.256359D+01
      3   0.150599D+01  0.882456D+01  0.352952D+01  0.404181D+00  0.613659D+00
               116           117 
      1   0.589771D+00  0.866353D+00
      2  -0.909077D+00 -0.897280D+00
      3   0.167143D+00  0.231844D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.269640D+02  0.169435D+02 -0.403068D+01  0.154153D+02  0.113574D+02
      2   0.551048D+01 -0.158810D+02  0.476657D+00 -0.140034D+02 -0.160147D+02
      3   0.214535D+02 -0.106252D+01  0.355402D+01 -0.141196D+01  0.465734D+01
      4   0.216916D+02 -0.141010D+01  0.674798D+01  0.363766D+01 -0.493109D+01
      5  -0.341973D+01  0.147069D+01  0.227336D+01  0.241008D+01 -0.560735D+01
      6   0.465988D+01 -0.435234D+01 -0.941601D+00 -0.495804D+01  0.313006D+01
                 6             7             8             9            10 
      1  -0.195227D+01 -0.722023D+01 -0.854109D+00  0.349739D+01  0.796236D+01
      2  -0.181413D+01  0.135008D+00  0.682547D+00  0.145917D+02 -0.386018D+01
      3   0.376640D+01  0.708522D+01  0.171562D+00 -0.180890D+02 -0.410217D+01
      4  -0.493931D+01  0.106270D+02 -0.720347D+01 -0.879950D+01 -0.105746D+01
      5  -0.674524D+01  0.265395D+01 -0.687376D+01  0.128357D+02  0.158989D-01
      6   0.751221D+01 -0.302062D+01  0.624754D+01 -0.582866D+01 -0.210301D+00
                11            12            13            14            15 
      1   0.218007D+01 -0.358495D+01 -0.597004D+01  0.315678D+01 -0.560930D+01
      2  -0.391837D+01  0.236063D+01  0.355918D+01 -0.314525D+01 -0.197111D+01
      3   0.173831D+01  0.122431D+01  0.241086D+01 -0.115351D-01  0.758041D+01
      4  -0.336501D+01 -0.302941D+01 -0.119372D+02 -0.859490D+00  0.112055D+01
      5  -0.129929D+01 -0.275170D+00 -0.496360D+01  0.663319D+00  0.280023D+01
      6   0.379778D+01 -0.263827D+01  0.208468D+00  0.232466D-02 -0.115305D+02
                16            17            18            19            20 
      1   0.347840D+01 -0.228439D+01  0.827918D+01 -0.163236D+02 -0.333315D+01
      2   0.116867D+01 -0.730400D+01  0.573388D+01  0.767410D+01 -0.674649D+00
      3  -0.464707D+01  0.958840D+01 -0.140131D+02  0.864946D+01  0.400780D+01
      4  -0.498801D+01  0.554634D+01  0.885072D+01 -0.151637D+02 -0.173472D+02
      5  -0.942740D+00  0.649971D+01 -0.853280D+01  0.566405D+01  0.477832D+01
      6   0.347130D+01 -0.322336D+01  0.809883D+01 -0.724708D+00 -0.888054D-01
                21            22            23            24            25 
      1   0.335119D+01 -0.143680D+02 -0.347500D+01 -0.733870D+00  0.381414D+01
      2  -0.176450D+01  0.946523D+01 -0.510329D+01 -0.561180D+01 -0.212586D+01
      3  -0.158668D+01  0.490274D+01  0.857829D+01  0.634567D+01 -0.168828D+01
      4   0.460281D+01 -0.150137D+02 -0.760372D+01 -0.891331D+00  0.757531D+01
      5  -0.115212D+02  0.799542D+01 -0.102621D+00 -0.568068D+01 -0.206536D+01
      6  -0.203736D+01 -0.743343D+00  0.415711D+01 -0.509937D+01  0.100159D+01
                26            27            28            29            30 
      1  -0.115054D+01 -0.586791D+01  0.389848D+02  0.104347D+02 -0.453195D+01
      2   0.551798D+01 -0.698578D+00 -0.198866D+02 -0.697328D+00  0.516783D+01
      3  -0.436744D+01  0.656649D+01 -0.190982D+02 -0.973742D+01 -0.635877D+00
      4  -0.332394D+01 -0.234685D+01  0.253704D+02  0.244065D+02 -0.448374D+01
      5  -0.312917D+00 -0.246480D+00 -0.113333D+02 -0.475202D+01  0.169399D+02
      6   0.430671D+01  0.568219D+01 -0.104267D+01 -0.104660D+01  0.492288D+01
                31            32            33            34            35 
      1   0.125853D+02  0.294869D+01  0.235646D+00 -0.405696D+01  0.899934D+00
      2  -0.275616D+01  0.100898D+02  0.142917D+01  0.380155D+01 -0.576731D-01
      3  -0.982910D+01 -0.130385D+02 -0.166481D+01  0.255408D+00 -0.842260D+00
      4   0.265115D+02  0.273912D+02 -0.440940D+01 -0.365727D+01 -0.316734D+01
      5  -0.448264D+01 -0.517482D+01  0.945663D+01  0.165117D+02  0.812852D+01
      6  -0.259866D+01 -0.220830D+01  0.848714D+01  0.453789D+01  0.711303D+01
                36            37            38            39            40 
      1   0.337593D+01 -0.162147D+02 -0.397082D+01  0.820740D+01  0.986409D+00
      2  -0.672036D+01  0.101810D+02  0.573252D+01 -0.663809D+01  0.236434D+01
      3   0.334442D+01  0.603367D+01 -0.176170D+01 -0.156931D+01 -0.335075D+01
      4   0.884451D+01 -0.774095D+01  0.795944D+01 -0.887462D+00  0.112699D+02
      5  -0.943123D+01  0.530519D+01 -0.272416D+01  0.609868D+01 -0.229977D+01
      6  -0.360400D+01  0.216723D+01 -0.323765D+01  0.178267D+01 -0.127046D+01
                41            42            43            44            45 
      1  -0.467139D+01  0.329860D+01  0.795324D+01  0.258404D+01  0.377846D+01
      2   0.153400D+02 -0.198744D+01 -0.771093D+01 -0.962504D+00 -0.661807D+01
      3  -0.106686D+02 -0.131116D+01 -0.242318D+00 -0.162153D+01  0.283961D+01
      4   0.101209D+02 -0.356277D+01 -0.866563D+00 -0.844867D+01 -0.530501D+01
      5  -0.358895D+01 -0.564648D+01  0.456514D+01 -0.688365D+01 -0.499743D+01
      6  -0.899419D+01  0.249377D+00 -0.133191D+01 -0.534457D+01 -0.121138D+02
                46            47            48            49            50 
      1   0.138250D+02  0.180647D+00 -0.399336D+00  0.343981D+01 -0.527302D+01
      2  -0.741652D+01 -0.459273D+01 -0.231100D+01 -0.638628D+01  0.135568D+02
      3  -0.640845D+01  0.441208D+01  0.271033D+01  0.294648D+01 -0.828381D+01
      4  -0.171438D+02  0.155100D+02 -0.554044D+01  0.103417D+02 -0.148987D+02
      5   0.507075D+01 -0.386063D+01  0.107225D+02 -0.229687D+01  0.427461D+01
      6  -0.345493D+01  0.287517D+01 -0.519405D+01  0.145390D+01 -0.447977D+01
                51            52            53            54            55 
      1   0.265341D+01 -0.145157D+01  0.336364D+01 -0.460397D+01 -0.243692D+00
      2   0.225138D+00 -0.162743D+00 -0.215083D+01 -0.450837D+01 -0.255168D+01
      3  -0.287855D+01  0.161431D+01 -0.121282D+01  0.911234D+01  0.279537D+01
      4   0.283478D+01 -0.305189D+01  0.398054D+01 -0.684272D+01 -0.832290D+00
      5  -0.268342D+01  0.915733D+01 -0.592972D+01  0.942512D+01  0.170097D+01
      6   0.999328D+01 -0.352772D+01  0.860020D+01 -0.731608D+01 -0.232995D+01
                56            57            58            59            60 
      1  -0.696179D+00  0.196927D+01  0.105707D+01 -0.591865D+01  0.514833D+01
      2   0.573978D+00 -0.983535D+00 -0.381045D+00  0.144853D+01  0.381705D+00
      3   0.122201D+00 -0.985733D+00 -0.676028D+00  0.447012D+01 -0.553004D+01
      4   0.302791D+01 -0.135719D+01  0.355397D+01 -0.355046D+01  0.244922D+01
      5  -0.150034D+01  0.649399D+01 -0.875105D+00  0.231660D+01 -0.339525D+01
      6  -0.452655D+00  0.201238D+00  0.467229D+00 -0.631840D+01  0.102147D+02
                61            62            63            64            65 
      1  -0.186071D+00  0.514949D+01 -0.177060D+02  0.449510D+02 -0.875070D+01
      2  -0.808766D+00  0.248935D+01 -0.142257D+02 -0.168211D+02 -0.523526D+00
      3   0.994837D+00 -0.763884D+01  0.319318D+02 -0.281299D+02  0.927423D+01
      4  -0.735724D+00  0.340642D+01 -0.389751D+01 -0.318513D+02  0.166021D+02
      5   0.507950D+01 -0.299024D+01  0.115721D+02 -0.100002D+01  0.664619D+00
      6  -0.138500D+01  0.808192D+01 -0.133571D+02 -0.208128D+01 -0.221523D+00
                66            67            68            69            70 
      1   0.447829D+01 -0.426920D+01  0.315515D+01 -0.268218D+00  0.798815D+01
      2  -0.979401D+00 -0.181018D+01  0.369993D+01 -0.295494D+00 -0.250431D+01
      3  -0.349889D+01  0.607938D+01 -0.685508D+01  0.563712D+00 -0.548384D+01
      4  -0.247053D+01  0.126568D+02 -0.856651D+01  0.190445D+01 -0.621342D+01
      5   0.746467D+01 -0.256357D-02  0.901598D+00 -0.439240D+00  0.735077D+01
      6  -0.450049D+01  0.639549D+00 -0.207309D+00  0.149474D+01 -0.385019D+01
                71            72            73            74            75 
      1  -0.499862D+00  0.408108D+01  0.304782D+01 -0.165160D+01 -0.267112D+01
      2  -0.135570D+01 -0.404279D+01 -0.357496D+01  0.156362D+01  0.183745D+01
      3   0.185556D+01 -0.382877D-01  0.527145D+00  0.879798D-01  0.833672D+00
      4   0.462186D+01 -0.327255D+01 -0.225052D+01  0.851148D+00  0.749250D+00
      5  -0.126174D+01  0.219435D+01 -0.216623D+01 -0.663322D+00  0.529285D+01
      6   0.174170D+01 -0.131885D+01  0.634673D+00  0.833858D+00  0.283818D-04
                76            77            78            79            80 
      1  -0.156194D+00 -0.279666D+01  0.601877D+00 -0.263873D+01 -0.125844D+01
      2   0.236901D+00 -0.907278D-01  0.532529D+01  0.310148D+01  0.465143D+01
      3  -0.807071D-01  0.288739D+01 -0.592717D+01 -0.462751D+00 -0.339299D+01
      4   0.173862D+00  0.251661D+01 -0.231678D+01  0.206450D+01 -0.409104D+01
      5  -0.237513D+01 -0.192219D+01  0.478145D+01  0.710816D+01  0.106299D+01
      6   0.242290D+00 -0.101126D+01  0.224389D+01 -0.106885D+01  0.431649D+01
                81            82            83            84            85 
      1  -0.127047D+02 -0.228500D+01 -0.103444D+02 -0.561928D+00 -0.878839D+01
      2  -0.187618D+02  0.621736D+01  0.143904D+02  0.153379D+00  0.101179D+02
      3   0.314665D+02 -0.393235D+01 -0.404604D+01  0.408549D+00 -0.132954D+01
      4   0.172701D+01  0.240290D+01  0.265751D+01 -0.943837D+00  0.501453D+01
      5  -0.205333D+02  0.197478D+01  0.113065D+01 -0.312847D+00  0.190379D+01
      6   0.134831D+02  0.214795D+00  0.268296D+01  0.334171D+01  0.171038D+01
                86            87            88            89            90 
      1  -0.242717D+02 -0.136306D+01  0.702997D+00  0.424938D-02 -0.418341D+01
      2   0.395462D+02  0.662943D+00 -0.313023D+00 -0.134218D+01  0.250391D+01
      3  -0.152745D+02  0.700117D+00 -0.389974D+00  0.133793D+01  0.167950D+01
      4  -0.611748D+01  0.117143D+00 -0.157301D+01  0.103623D+01  0.650626D+00
      5   0.208053D+01 -0.122776D+01  0.786463D+00 -0.405977D+00 -0.105404D+01
      6   0.551370D+01  0.626370D+01  0.227880D+01  0.607940D+01  0.707868D+00
                91            92            93            94            95 
      1   0.387222D+02  0.390223D+01 -0.598997D+01 -0.592313D+00  0.173774D+01
      2  -0.199565D+02 -0.277766D+00  0.293298D+01  0.133926D+01  0.957323D-01
      3  -0.187657D+02 -0.362446D+01  0.305699D+01 -0.746948D+00 -0.183347D+01
      4   0.174328D+02  0.840733D+01 -0.152348D+01  0.487480D+01  0.100080D+01
      5  -0.269911D+01  0.554558D+00  0.598486D+01  0.162895D+01 -0.628219D+00
      6  -0.233105D+01  0.817771D+00  0.292521D+01  0.689121D+00 -0.133970D+00
                96            97            98            99           100 
      1   0.151824D+01 -0.101563D+02  0.895810D-01  0.269385D+01  0.142142D+01
      2  -0.107214D+01  0.660342D+01 -0.648857D+00 -0.231883D+01 -0.649261D+00
      3  -0.446095D+00  0.355288D+01  0.559276D+00 -0.375024D+00 -0.772160D+00
      4  -0.153003D+00 -0.437326D+01 -0.760718D+00  0.135992D+01  0.330347D+01
      5  -0.107467D+00  0.447465D+01  0.984300D+00 -0.234115D+01  0.190723D+01
      6   0.133474D+01  0.105618D+01  0.192054D+01 -0.873195D+00  0.224827D+01
               101           102           103           104           105 
      1   0.149971D+01  0.140636D+01  0.181041D+01 -0.701356D+01 -0.443420D+01
      2  -0.135279D+00  0.459799D-02 -0.576274D+00  0.801653D+01  0.393925D+01
      3  -0.136443D+01 -0.141096D+01 -0.123414D+01 -0.100296D+01  0.494955D+00
      4   0.438821D+01  0.322454D+01  0.562431D+01  0.965229D+01  0.659996D+01
      5   0.287673D+01  0.273790D+01  0.371934D+01  0.701123D+01  0.923685D+01
      6   0.944160D+00  0.264393D+00  0.372749D+01  0.122886D+02  0.133054D+02
               106           107           108           109           110 
      1   0.182798D+01 -0.688072D+01 -0.960591D+01 -0.631480D+01 -0.345647D+01
      2  -0.781311D+00  0.410568D+01  0.183142D+01  0.484943D+01  0.297133D+01
      3  -0.104667D+01  0.277504D+01  0.777449D+01  0.146538D+01  0.485146D+00
      4   0.489963D+01  0.971569D+01  0.848526D+01  0.804205D+01 -0.316016D+01
      5   0.511446D+01  0.102082D+02  0.123275D+02 -0.133853D+01  0.828902D+00
      6   0.334447D+01  0.152680D+02  0.172063D+02  0.225005D+01 -0.255213D+01
               111           112           113           114           115 
      1   0.193332D+01 -0.261899D+01 -0.795414D+01  0.256835D+01  0.156994D+00
      2  -0.449464D-01  0.176809D+01  0.105972D+02 -0.253844D+01 -0.191140D+00
      3  -0.188838D+01  0.850903D+00 -0.264304D+01 -0.299117D-01  0.341467D-01
      4   0.241621D+01  0.371862D+01 -0.195109D+01  0.928414D+00  0.292696D+00
      5  -0.382508D+01 -0.361893D+00 -0.223727D+00 -0.349600D+00  0.632593D+00
      6   0.187364D+01  0.114006D+00 -0.423389D+01  0.360502D+01  0.697286D+00
               116           117 
      1   0.250066D+01 -0.308353D+01
      2  -0.196171D+01  0.118401D+01
      3  -0.538950D+00  0.189952D+01
      4  -0.131190D+01  0.546097D+00
      5  -0.224931D-01 -0.153639D+01
      6   0.341996D+01 -0.326186D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 19:18:54 2021, MaxMem=  6442450944 cpu:            4763.0 elap:             596.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.51013 -19.45710 -14.64455 -10.56900 -10.49977
 Alpha  occ. eigenvalues --  -10.45257  -1.24427  -1.15371  -1.06480  -0.90798
 Alpha  occ. eigenvalues --   -0.79811  -0.72693  -0.65554  -0.65286  -0.61625
 Alpha  occ. eigenvalues --   -0.57864  -0.56000  -0.53433  -0.51100  -0.49147
 Alpha  occ. eigenvalues --   -0.48124  -0.43002  -0.41743  -0.37481
 Alpha virt. eigenvalues --   -0.02192  -0.00338  -0.00069   0.00804   0.02550
 Alpha virt. eigenvalues --    0.02796   0.03245   0.04980   0.05930   0.07744
 Alpha virt. eigenvalues --    0.08804   0.09391   0.09594   0.10351   0.10664
 Alpha virt. eigenvalues --    0.11702   0.12592   0.13143   0.13839   0.14610
 Alpha virt. eigenvalues --    0.16332   0.17176   0.17469   0.20227   0.22004
 Alpha virt. eigenvalues --    0.22945   0.23175   0.24621   0.25094   0.25873
 Alpha virt. eigenvalues --    0.26909   0.27356   0.28261   0.29269   0.30407
 Alpha virt. eigenvalues --    0.31819   0.32158   0.33823   0.35356   0.36905
 Alpha virt. eigenvalues --    0.37574   0.38116   0.38731   0.39452   0.41012
 Alpha virt. eigenvalues --    0.41396   0.43230   0.43760   0.44937   0.46341
 Alpha virt. eigenvalues --    0.46948   0.47619   0.47940   0.48898   0.49835
 Alpha virt. eigenvalues --    0.50742   0.52251   0.54122   0.55365   0.55461
 Alpha virt. eigenvalues --    0.58428   0.59595   0.60080   0.60707   0.61991
 Alpha virt. eigenvalues --    0.63119   0.63868   0.65320   0.65980   0.67674
 Alpha virt. eigenvalues --    0.67955   0.69144   0.70998   0.73058   0.74143
 Alpha virt. eigenvalues --    0.76509   0.77047   0.79116   0.80630   0.82692
 Alpha virt. eigenvalues --    0.83135   0.85726   0.87601   0.89808   0.90779
 Alpha virt. eigenvalues --    0.92277   0.95820   0.98628   0.99610   1.01698
 Alpha virt. eigenvalues --    1.03419   1.03995   1.07603   1.10489   1.12860
 Alpha virt. eigenvalues --    1.13872   1.14507   1.16011   1.17283   1.22257
 Alpha virt. eigenvalues --    1.23407   1.25821   1.26575   1.28114   1.29765
 Alpha virt. eigenvalues --    1.35845   1.37766   1.41960   1.43546   1.48852
 Alpha virt. eigenvalues --    1.52034   1.52868   1.54971   1.56230   1.58260
 Alpha virt. eigenvalues --    1.67816   1.69365   1.70676   1.71363   1.71975
 Alpha virt. eigenvalues --    1.74083   1.79800   1.81298   1.82853   1.85404
 Alpha virt. eigenvalues --    1.88711   1.92323   1.92479   1.95626   1.97500
 Alpha virt. eigenvalues --    2.00639   2.02347   2.05222   2.07925   2.11376
 Alpha virt. eigenvalues --    2.12801   2.14730   2.15917   2.17545   2.18771
 Alpha virt. eigenvalues --    2.20457   2.26119   2.27819   2.30575   2.31830
 Alpha virt. eigenvalues --    2.33702   2.38569   2.41659   2.45413   2.48997
 Alpha virt. eigenvalues --    2.53187   2.54256   2.59268   2.64991   2.65220
 Alpha virt. eigenvalues --    2.67397   2.70806   2.76043   2.81463   2.86757
 Alpha virt. eigenvalues --    2.90452   2.95997   3.02012   3.06791   3.19862
 Alpha virt. eigenvalues --    3.31086   3.41047   3.44736   3.45649   3.48944
 Alpha virt. eigenvalues --    3.50918   3.52905   3.53873   3.62848   3.76790
 Alpha virt. eigenvalues --    3.85692   4.00112
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.550268   0.326791  -0.217944   0.016979  -0.057113   0.019626
     2  C    0.326791   6.237455  -0.674470  -0.051104   0.369400   0.093847
     3  C   -0.217944  -0.674470   6.329166   0.642597  -0.023432   0.059607
     4  O    0.016979  -0.051104   0.642597   7.697921  -0.013621  -0.054801
     5  N   -0.057113   0.369400  -0.023432  -0.013621   6.221821  -0.054442
     6  O    0.019626   0.093847   0.059607  -0.054801  -0.054442   7.912478
     7  H    0.089210  -0.390039  -0.140778   0.020366  -0.083086   0.018019
     8  H    0.122110   0.344822  -0.024857   0.002331  -0.041438  -0.001893
     9  H    0.402351  -0.157988  -0.098501   0.015067  -0.040934   0.027259
    10  H    0.250239  -0.053605   0.040923  -0.021143   0.021983  -0.006469
    11  H   -0.041379  -0.147110  -0.005359   0.001793   0.253723   0.012404
    12  H   -0.036723   0.180750  -0.030964   0.001545   0.331813  -0.010807
    13  H   -0.013406  -0.141923  -0.031288   0.007599   0.067285   0.232488
               7          8          9         10         11         12
     1  C    0.089210   0.122110   0.402351   0.250239  -0.041379  -0.036723
     2  C   -0.390039   0.344822  -0.157988  -0.053605  -0.147110   0.180750
     3  C   -0.140778  -0.024857  -0.098501   0.040923  -0.005359  -0.030964
     4  O    0.020366   0.002331   0.015067  -0.021143   0.001793   0.001545
     5  N   -0.083086  -0.041438  -0.040934   0.021983   0.253723   0.331813
     6  O    0.018019  -0.001893   0.027259  -0.006469   0.012404  -0.010807
     7  H    1.801359  -0.110557   0.103122  -0.036376   0.066889  -0.128394
     8  H   -0.110557   1.475335  -0.316557  -0.288610  -0.035553   0.015740
     9  H    0.103122  -0.316557   1.431895  -0.261137  -0.007881  -0.001412
    10  H   -0.036376  -0.288610  -0.261137   1.479042   0.013622  -0.007983
    11  H    0.066889  -0.035553  -0.007881   0.013622   1.020935  -0.165108
    12  H   -0.128394   0.015740  -0.001412  -0.007983  -0.165108   0.847407
    13  H    0.014646  -0.006327  -0.000429   0.005174   0.008342  -0.013407
              13
     1  C   -0.013406
     2  C   -0.141923
     3  C   -0.031288
     4  O    0.007599
     5  N    0.067285
     6  O    0.232488
     7  H    0.014646
     8  H   -0.006327
     9  H   -0.000429
    10  H    0.005174
    11  H    0.008342
    12  H   -0.013407
    13  H    0.686685
 Mulliken charges:
               1
     1  C    0.588991
     2  C    0.063173
     3  C    0.175300
     4  O   -0.265529
     5  N    0.048043
     6  O   -0.247318
     7  H   -0.224383
     8  H   -0.134547
     9  H   -0.094855
    10  H   -0.135661
    11  H    0.024681
    12  H    0.017543
    13  H    0.184562
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.223929
     2  C   -0.161210
     3  C    0.175300
     4  O   -0.265529
     5  N    0.090267
     6  O   -0.062756
 Electronic spatial extent (au):  <R**2>=            571.0987
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -5.3732    Y=             -1.2890    Z=             -0.6421  Tot=              5.5628
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -40.3657   YY=            -36.3148   ZZ=            -35.1119
   XY=             -0.8006   XZ=              1.0575   YZ=              2.8123
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -3.1015   YY=              0.9493   ZZ=              2.1522
   XY=             -0.8006   XZ=              1.0575   YZ=              2.8123
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -19.5727  YYY=             -6.9735  ZZZ=             -2.4220  XYY=             -5.4176
  XXY=             -6.8527  XXZ=             -0.3068  XZZ=             -1.2438  YZZ=             -3.7449
  YYZ=             -1.3957  XYZ=              0.6334
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -373.8730 YYYY=           -238.6313 ZZZZ=            -88.9439 XXXY=              6.5116
 XXXZ=              2.2800 YYYX=              3.3776 YYYZ=              3.7501 ZZZX=              3.2196
 ZZZY=              1.4529 XXYY=           -108.7209 XXZZ=            -80.5102 YYZZ=            -53.1690
 XXYZ=              5.8433 YYXZ=              6.5084 ZZXY=              3.3729
 N-N= 2.508298141574D+02 E-N=-1.258544542487D+03  KE= 3.213825373109D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 19:18:55 2021, MaxMem=  6442450944 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.04538836D+00-5.32798870D-01-2.41207447D-01
 Polarizability= 5.53894139D+01 2.07466857D+00 5.36253798D+01
                -3.70774911D-01-2.08194124D+00 4.34536877D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.1620    0.1590        1.0999    1.1016
 2     -0.1620   -0.1590        1.2458    1.2476       -0.9512   -0.9495
 3     -1.0999   -1.1016        6.1814    6.1761       -1.2482   -1.2476
 4     -1.2458   -1.2476       -0.0000    0.0000       -1.0989   -1.1016
 5     -5.2302   -5.2266        1.0989    1.1016        0.1598    0.1590
 6      1.2482    1.2476       -0.1598   -0.1590        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.4771   -0.4771        3.3048    3.3048
 2     -3.7429   -3.7429       -0.0000    0.0000        3.3048    3.3048
 3     -3.7429   -3.7429       -0.4771   -0.4771        0.0000    0.0000
 4     -0.4771   -0.4771        3.7429    3.7429       -2.8485   -2.8485
 5     -3.3048   -3.3048       18.5283   18.5283       -3.7429   -3.7429
 6    -15.6797  -15.6797        3.3048    3.3048        0.4771    0.4771
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0259    0.0000       -0.6797   -0.6361       -4.4139   -4.4064
 2      0.6643    0.6361       -4.8959   -4.9906        3.6501    3.7980
 3      4.4943    4.4064      -24.6453  -24.7043        4.9479    4.9906
 4      4.9878    4.9906       -0.0069    0.0000        4.5123    4.4064
 5     21.0628   20.9063       -4.4119   -4.4064       -0.6264   -0.6361
 6     -4.8949   -4.9906        0.5157    0.6361       -0.0924    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1140    0.0000       -7.3069   -7.3103        1.8491    1.8767
 2      7.1464    7.3103       -5.0117   -5.1386       17.2622   17.2559
 3     -1.8056   -1.8767       -0.0039   -0.1975        4.7885    5.1386
 4      5.2915    5.1386       -0.3327    0.0000       -2.0939   -1.8767
 5    -17.2719  -17.0585        1.9495    1.8767       -7.3670   -7.3103
 6     -5.1760   -5.1386        7.6090    7.3103        0.1875    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1023    0.2387      -14.0952  -14.3455       -6.0726   -5.9461
 2      6.8283    6.9287      -14.7189  -14.7422       -6.1980   -5.9461
 3      6.8685    6.9287      -14.2682  -14.3455       -7.1955   -6.9996
 4      0.0028    0.3967       -6.3803   -6.6900       13.8044   13.4835
 5     -1.0751   -1.0535       13.8822   13.4978        6.5020    6.6900
 6    -27.4456  -26.9812        1.5615    1.0535       -0.1843   -0.3967
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.2270   -0.0011   -0.0010   -0.0006    5.3769    7.6607
 Low frequencies ---   71.0656  239.9752  256.0351
 Diagonal vibrational polarizability:
       17.3564557      12.5954481       9.1215929
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --     71.0626               239.9752               256.0351
 Red. masses --      3.8742                 1.3821                 1.5419
 Frc consts  --      0.0115                 0.0469                 0.0596
 IR Inten    --      1.0987                 1.2856                 1.4789
 RamAct Fr= 1--      0.8925                 0.4643                 0.2550
  Dep-P Fr= 1--      0.7356                 0.5969                 0.5556
  Dep-U Fr= 1--      0.8476                 0.7476                 0.7143
 Alpha2 Fr= 1--      0.0002                 0.0013                 0.0009
 Beta2  Fr= 1--      0.1261                 0.0579                 0.0304
 AlphaG Fr= 1--      0.0009                -0.0034                -0.0041
 Gamma2 Fr= 1--      0.1929                 0.0179                -0.1533
 Delta2 Fr= 1--      0.1102                -0.0568                -0.0134
 Raman1 Fr= 1--       3.570                  1.857                  1.020
 ROA1   Fr= 1--      22.047                 -0.095                -15.143
 CID1   Fr= 1--       6.175                 -0.051                -14.847
 Raman2 Fr= 1--       1.513                  0.694                  0.364
 ROA2   Fr= 1--       3.749                  0.885                 -3.571
 CID2   Fr= 1--       2.478                  1.275                 -9.804
 Raman3 Fr= 1--       3.026                  1.389                  0.729
 ROA3   Fr= 1--      22.047                 -0.095                -15.143
 CID3   Fr= 1--       7.285                 -0.069                -20.786
 RC180  Fr= 1--       0.695                  0.495                  0.429
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.12   0.19     0.12  -0.01   0.01    -0.12   0.03  -0.01
     2   6    -0.00   0.05  -0.01    -0.01  -0.03  -0.06    -0.00   0.05   0.05
     3   6    -0.01   0.01  -0.03    -0.02  -0.01  -0.02     0.01   0.01   0.02
     4   8     0.05  -0.11  -0.21    -0.04   0.04   0.05     0.06  -0.05  -0.01
     5   7     0.02   0.02  -0.16    -0.01  -0.02  -0.03     0.05   0.03   0.05
     6   8    -0.08   0.14   0.21    -0.04   0.02   0.03    -0.01  -0.05  -0.07
     7   1    -0.02   0.22   0.05    -0.05  -0.03  -0.05     0.01   0.05   0.04
     8   1    -0.02  -0.12   0.27    -0.04  -0.31   0.43    -0.22  -0.31   0.12
     9   1     0.07  -0.28   0.13     0.66   0.20   0.06     0.13   0.22   0.05
    10   1    -0.05  -0.08   0.30    -0.12   0.10  -0.41    -0.40   0.18  -0.26
    11   1    -0.09  -0.01  -0.48     0.01  -0.01   0.04    -0.11   0.02  -0.41
    12   1     0.32  -0.01  -0.15    -0.08  -0.01  -0.04     0.48  -0.14   0.15
    13   1    -0.08   0.15   0.24    -0.04  -0.00  -0.03    -0.05   0.04   0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --    282.7451               339.0367               392.7301
 Red. masses --      1.3973                 3.4037                 2.9360
 Frc consts  --      0.0658                 0.2305                 0.2668
 IR Inten    --     27.8476                12.0435                 1.1059
 RamAct Fr= 1--      0.4390                 0.5656                 0.9135
  Dep-P Fr= 1--      0.7491                 0.2317                 0.7261
  Dep-U Fr= 1--      0.8566                 0.3763                 0.8413
 Alpha2 Fr= 1--      0.0000                 0.0071                 0.0004
 Beta2  Fr= 1--      0.0627                 0.0355                 0.1281
 AlphaG Fr= 1--     -0.0007                 0.0022                -0.0005
 Gamma2 Fr= 1--      0.3170                 0.0765                 0.2159
 Delta2 Fr= 1--      0.2491                 0.0991                -0.0885
 Raman1 Fr= 1--       1.756                  2.262                  3.654
 ROA1   Fr= 1--      38.401                 10.519                 17.889
 CID1   Fr= 1--      21.870                  4.649                  4.896
 Raman2 Fr= 1--       0.752                  0.426                  1.537
 ROA2   Fr= 1--       5.614                  1.044                  5.889
 CID2   Fr= 1--       7.465                  2.452                  3.831
 Raman3 Fr= 1--       1.504                  0.851                  3.074
 ROA3   Fr= 1--      38.401                 10.519                 17.889
 CID3   Fr= 1--      25.532                 12.357                  5.819
 RC180  Fr= 1--       0.713                 -0.247                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11  -0.01   0.00    -0.06   0.04  -0.02     0.04   0.20   0.02
     2   6     0.01   0.04   0.02     0.01  -0.03   0.09    -0.04   0.02   0.14
     3   6     0.03   0.02   0.01     0.02  -0.06   0.09    -0.07  -0.02   0.08
     4   8     0.09  -0.04  -0.03    -0.07  -0.02  -0.05    -0.11  -0.03  -0.07
     5   7     0.05  -0.00  -0.03    -0.19   0.07  -0.14     0.17  -0.13  -0.11
     6   8    -0.04   0.01   0.01     0.27  -0.03   0.07    -0.03  -0.05   0.01
     7   1    -0.01   0.02   0.02     0.18   0.05   0.11     0.00   0.05   0.15
     8   1    -0.15  -0.22   0.04    -0.11  -0.20   0.00     0.08   0.35  -0.02
     9   1     0.01   0.05   0.02     0.05   0.25   0.05    -0.01   0.44   0.10
    10   1    -0.28   0.09  -0.06    -0.24   0.12  -0.24     0.22   0.08  -0.19
    11   1     0.26  -0.09   0.61    -0.17   0.19  -0.12     0.17  -0.43  -0.01
    12   1    -0.47   0.25  -0.17    -0.30   0.24  -0.24     0.21   0.15  -0.29
    13   1    -0.05  -0.02  -0.19     0.42  -0.21   0.17    -0.02  -0.09  -0.11
                      7                      8                      9
                      A                      A                      A
 Frequencies --    532.4147               639.0061               744.7541
 Red. masses --      4.9058                 4.1232                 4.9450
 Frc consts  --      0.8193                 0.9920                 1.6160
 IR Inten    --      2.0497                 7.1743                14.8971
 RamAct Fr= 1--      3.6358                 1.5156                 2.2505
  Dep-P Fr= 1--      0.1703                 0.7488                 0.0940
  Dep-U Fr= 1--      0.2910                 0.8564                 0.1719
 Alpha2 Fr= 1--      0.0534                 0.0000                 0.0400
 Beta2  Fr= 1--      0.1763                 0.2163                 0.0645
 AlphaG Fr= 1--      0.0045                 0.0001                 0.0542
 Gamma2 Fr= 1--      0.3381                -0.7044                -1.3193
 Delta2 Fr= 1--      0.0814                 0.0974                -0.0040
 Raman1 Fr= 1--      14.543                  6.063                  9.002
 ROA1   Fr= 1--      35.058                -64.505               -126.781
 CID1   Fr= 1--       2.411                -10.640                -14.084
 Raman2 Fr= 1--       2.116                  2.596                  0.774
 ROA2   Fr= 1--       7.462                -17.684                -31.632
 CID2   Fr= 1--       3.526                 -6.812                -40.883
 Raman3 Fr= 1--       4.232                  5.192                  1.547
 ROA3   Fr= 1--      35.058                -64.505               -126.781
 CID3   Fr= 1--       8.283                -12.425                -81.931
 RC180  Fr= 1--      -0.418                  0.713                 -0.656
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.10   0.04     0.05  -0.07  -0.02     0.07  -0.11  -0.10
     2   6    -0.22  -0.07   0.03     0.15  -0.13   0.21    -0.05   0.01  -0.04
     3   6     0.02   0.10  -0.08     0.15   0.12   0.12    -0.19   0.24   0.41
     4   8     0.28  -0.07   0.11     0.06   0.16  -0.13     0.02  -0.14  -0.06
     5   7    -0.17  -0.22  -0.05    -0.15  -0.10  -0.01     0.01   0.04  -0.02
     6   8     0.06   0.16  -0.06    -0.17  -0.03  -0.04     0.03   0.05  -0.14
     7   1    -0.39  -0.08   0.04     0.24  -0.14   0.21     0.33  -0.16  -0.12
     8   1    -0.00   0.39   0.13     0.10  -0.15  -0.24     0.01   0.11   0.27
     9   1     0.00   0.26   0.09    -0.10   0.21   0.07     0.34  -0.33  -0.17
    10   1     0.23  -0.07  -0.15     0.03  -0.07  -0.19     0.23  -0.20  -0.01
    11   1    -0.23  -0.29  -0.18    -0.21   0.21  -0.30     0.06  -0.06   0.16
    12   1    -0.03  -0.12  -0.12    -0.14   0.11  -0.15     0.01  -0.10   0.08
    13   1     0.17   0.03   0.02    -0.35   0.21  -0.20     0.08   0.02   0.12
                     10                     11                     12
                      A                      A                      A
 Frequencies --    802.2192               845.8360               874.2559
 Red. masses --      2.8268                 1.3684                 1.2854
 Frc consts  --      1.0718                 0.5768                 0.5789
 IR Inten    --      9.7925                80.6785                78.9541
 RamAct Fr= 1--      9.1490                 2.1765                 1.0943
  Dep-P Fr= 1--      0.0306                 0.3232                 0.2958
  Dep-U Fr= 1--      0.0594                 0.4885                 0.4565
 Alpha2 Fr= 1--      0.1892                 0.0208                 0.0114
 Beta2  Fr= 1--      0.0906                 0.1772                 0.0833
 AlphaG Fr= 1--     -0.0791                 0.0726                -0.0592
 Gamma2 Fr= 1--      0.2166                -0.3245                 0.1183
 Delta2 Fr= 1--      0.2355                -0.3619                 0.3461
 Raman1 Fr= 1--      36.596                  8.706                  4.377
 ROA1   Fr= 1--      28.330                -42.733                 22.428
 CID1   Fr= 1--       0.774                 -4.908                  5.124
 Raman2 Fr= 1--       1.087                  2.126                  0.999
 ROA2   Fr= 1--       3.314                 -4.893                  0.070
 CID2   Fr= 1--       3.050                 -2.301                  0.070
 Raman3 Fr= 1--       2.174                  4.253                  1.998
 ROA3   Fr= 1--      28.330                -42.733                 22.428
 CID3   Fr= 1--      13.034                -10.048                 11.223
 RC180  Fr= 1--      -0.881                 -0.023                 -0.087
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.06  -0.02     0.02  -0.06   0.00    -0.02   0.06   0.02
     2   6     0.11  -0.03   0.12    -0.01  -0.05   0.07     0.04   0.02  -0.05
     3   6    -0.16  -0.02  -0.09    -0.01  -0.02  -0.04    -0.01   0.00   0.00
     4   8    -0.03  -0.13   0.08    -0.00  -0.00   0.03    -0.01   0.00   0.01
     5   7     0.06  -0.01   0.05    -0.00   0.09  -0.08     0.02  -0.10   0.01
     6   8    -0.03   0.18  -0.08    -0.00   0.02  -0.04     0.01  -0.02  -0.03
     7   1     0.01   0.05   0.15    -0.02   0.13   0.13     0.08  -0.08  -0.08
     8   1     0.11  -0.28  -0.35     0.07  -0.04  -0.17    -0.05   0.01   0.12
     9   1    -0.16   0.12   0.04    -0.10   0.21   0.09     0.04  -0.11  -0.04
    10   1    -0.07   0.01  -0.10     0.08  -0.11  -0.21    -0.09   0.12   0.19
    11   1    -0.03   0.37  -0.29     0.13  -0.23   0.36    -0.00   0.22  -0.11
    12   1    -0.14   0.44  -0.24     0.11  -0.23   0.14    -0.28   0.20  -0.18
    13   1     0.21  -0.16  -0.04    -0.15   0.35   0.59    -0.14   0.34   0.72
                     13                     14                     15
                      A                      A                      A
 Frequencies --    941.4244              1015.9197              1060.1932
 Red. masses --      1.8242                 1.5005                 1.6996
 Frc consts  --      0.9526                 0.9124                 1.1256
 IR Inten    --     37.4900                 1.0380                33.3234
 RamAct Fr= 1--      2.9544                 2.4641                 3.4786
  Dep-P Fr= 1--      0.3841                 0.7017                 0.2467
  Dep-U Fr= 1--      0.5550                 0.8247                 0.3958
 Alpha2 Fr= 1--      0.0231                 0.0021                 0.0416
 Beta2  Fr= 1--      0.2733                 0.3387                 0.2295
 AlphaG Fr= 1--      0.0206                 0.0021                -0.0418
 Gamma2 Fr= 1--      0.6726                -0.6462                -0.0593
 Delta2 Fr= 1--      0.2475                -0.0341                -0.7200
 Raman1 Fr= 1--      11.817                  9.856                 13.914
 ROA1   Fr= 1--      72.490                -63.130                -28.734
 CID1   Fr= 1--       6.134                 -6.405                 -2.065
 Raman2 Fr= 1--       3.280                  4.064                  2.754
 ROA2   Fr= 1--      14.163                -15.237                  4.336
 CID2   Fr= 1--       4.319                 -3.749                  1.575
 Raman3 Fr= 1--       6.559                  8.128                  5.507
 ROA3   Fr= 1--      72.490                -63.130                -28.734
 CID3   Fr= 1--      11.052                 -7.767                 -5.218
 RC180  Fr= 1--       0.110                  0.649                 -0.208
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.12  -0.07    -0.11  -0.00   0.10     0.09  -0.04   0.05
     2   6    -0.15   0.03   0.04     0.05  -0.10  -0.08    -0.02   0.11  -0.10
     3   6     0.03   0.02  -0.02    -0.01   0.01   0.02    -0.05   0.08   0.05
     4   8     0.02   0.04  -0.01    -0.00  -0.01  -0.00     0.01   0.01  -0.02
     5   7     0.08   0.06   0.05     0.06   0.02  -0.02    -0.01  -0.08   0.02
     6   8     0.02  -0.07   0.04    -0.01   0.01  -0.01     0.02  -0.07   0.03
     7   1    -0.32   0.03   0.05     0.10   0.08  -0.03    -0.34   0.48   0.05
     8   1     0.01   0.19   0.06    -0.05   0.36   0.11     0.18  -0.26  -0.45
     9   1     0.11   0.03  -0.03    -0.02   0.36   0.21    -0.27   0.26   0.14
    10   1     0.26  -0.31  -0.29     0.20  -0.21  -0.27    -0.13   0.07  -0.17
    11   1    -0.02   0.19  -0.23     0.10   0.55  -0.07    -0.01   0.10  -0.01
    12   1    -0.06   0.56  -0.28    -0.23  -0.25   0.15    -0.15  -0.17   0.07
    13   1    -0.04   0.04   0.16     0.03  -0.05  -0.08     0.04  -0.08   0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1131.6660              1206.6474              1272.5746
 Red. masses --      2.4284                 2.4347                 1.4646
 Frc consts  --      1.8324                 2.0886                 1.3974
 IR Inten    --     11.8124                15.7688                 3.0975
 RamAct Fr= 1--      1.8081                 5.2305                 3.0296
  Dep-P Fr= 1--      0.7089                 0.7167                 0.3060
  Dep-U Fr= 1--      0.8296                 0.8350                 0.4686
 Alpha2 Fr= 1--      0.0013                 0.0030                 0.0305
 Beta2  Fr= 1--      0.2500                 0.7279                 0.2366
 AlphaG Fr= 1--      0.0024                -0.0021                 0.0165
 Gamma2 Fr= 1--      0.3267                -0.3916                -0.8938
 Delta2 Fr= 1--      0.6688                -0.0161                 0.3516
 Raman1 Fr= 1--       7.232                 20.922                 12.118
 ROA1   Fr= 1--      52.766                -38.110                -74.558
 CID1   Fr= 1--       7.296                 -1.822                 -6.152
 Raman2 Fr= 1--       3.000                  8.735                  2.839
 ROA2   Fr= 1--       2.491                 -9.269                -24.265
 CID2   Fr= 1--       0.830                 -1.061                 -8.546
 Raman3 Fr= 1--       6.000                 17.470                  5.679
 ROA3   Fr= 1--      52.766                -38.110                -74.558
 CID3   Fr= 1--       8.794                 -2.181                -13.129
 RC180  Fr= 1--       0.659                  0.670                 -0.063
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.09  -0.07     0.02  -0.02   0.08    -0.03  -0.04   0.07
     2   6     0.07   0.25   0.05    -0.06  -0.00  -0.14     0.07   0.03  -0.07
     3   6     0.06  -0.10  -0.01     0.16  -0.14   0.15    -0.07   0.06  -0.06
     4   8    -0.04  -0.02   0.02    -0.06  -0.04   0.01     0.03   0.02  -0.00
     5   7    -0.06  -0.11   0.03    -0.01   0.03   0.05    -0.05   0.01   0.05
     6   8     0.01   0.06  -0.02     0.02   0.11  -0.06    -0.01  -0.04   0.02
     7   1     0.36   0.51   0.12    -0.06  -0.16  -0.19     0.48  -0.25  -0.20
     8   1    -0.05   0.29   0.16     0.08  -0.03  -0.17     0.05   0.12  -0.11
     9   1     0.25  -0.00  -0.05    -0.23   0.26   0.18    -0.02   0.23   0.16
    10   1     0.26  -0.29  -0.21    -0.09   0.03  -0.13     0.06  -0.11  -0.19
    11   1    -0.06  -0.09   0.04    -0.10  -0.26  -0.10    -0.10  -0.46   0.05
    12   1    -0.10  -0.20   0.08     0.08   0.35  -0.17     0.17   0.32  -0.15
    13   1    -0.07   0.13  -0.09    -0.28   0.46  -0.25     0.14  -0.22   0.16
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1336.3115              1361.4278              1407.1613
 Red. masses --      1.5282                 1.3474                 1.3486
 Frc consts  --      1.6079                 1.4714                 1.5734
 IR Inten    --     10.3129                33.3786               150.5979
 RamAct Fr= 1--      2.0743                 3.9789                 2.1220
  Dep-P Fr= 1--      0.7493                 0.4320                 0.3071
  Dep-U Fr= 1--      0.8567                 0.6034                 0.4699
 Alpha2 Fr= 1--      0.0000                 0.0262                 0.0213
 Beta2  Fr= 1--      0.2962                 0.4001                 0.1662
 AlphaG Fr= 1--      0.0006                -0.0336                 0.0028
 Gamma2 Fr= 1--      0.7159                -0.0048                 0.0522
 Delta2 Fr= 1--      0.1000                -1.0120                 0.1336
 Raman1 Fr= 1--       8.297                 15.916                  8.488
 ROA1   Fr= 1--      71.925                -32.843                  9.287
 CID1   Fr= 1--       8.669                 -2.064                  1.094
 Raman2 Fr= 1--       3.554                  4.801                  1.994
 ROA2   Fr= 1--      16.382                  7.981                  0.184
 CID2   Fr= 1--       4.609                  1.662                  0.092
 Raman3 Fr= 1--       7.108                  9.603                  3.988
 ROA3   Fr= 1--      71.925                -32.843                  9.287
 CID3   Fr= 1--      10.119                 -3.420                  2.329
 RC180  Fr= 1--       0.713                  0.207                 -0.060
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.00   0.02    -0.01   0.03  -0.03    -0.05   0.08   0.06
     2   6    -0.19   0.00   0.03    -0.00  -0.13  -0.06     0.02  -0.04  -0.01
     3   6     0.00  -0.02  -0.04     0.01  -0.01   0.02    -0.05   0.06  -0.04
     4   8     0.02   0.02   0.00     0.01   0.02  -0.01    -0.01  -0.03   0.01
     5   7     0.05  -0.01  -0.00    -0.00   0.01   0.05    -0.01  -0.00   0.01
     6   8     0.00  -0.00   0.01    -0.03   0.01  -0.01     0.06  -0.03   0.03
     7   1     0.87   0.02  -0.03     0.18   0.82   0.24     0.07   0.14   0.05
     8   1     0.05  -0.14  -0.07    -0.07   0.01   0.16    -0.02  -0.31  -0.26
     9   1    -0.18  -0.04   0.01    -0.02  -0.04  -0.05     0.18  -0.38  -0.11
    10   1    -0.12   0.09  -0.06    -0.01   0.05   0.11     0.32  -0.17  -0.27
    11   1     0.04   0.21  -0.07    -0.05  -0.21   0.00    -0.03  -0.04  -0.02
    12   1    -0.15  -0.12   0.07     0.07   0.25  -0.10     0.02   0.08  -0.04
    13   1    -0.04   0.06  -0.06     0.10  -0.14   0.10    -0.30   0.44  -0.29
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1414.3936              1498.0989              1501.6765
 Red. masses --      1.4122                 1.0424                 1.0582
 Frc consts  --      1.6645                 1.3783                 1.4059
 IR Inten    --    216.1815                 6.6874                 8.1589
 RamAct Fr= 1--      1.6407                 5.5316                 4.0803
  Dep-P Fr= 1--      0.1894                 0.7500                 0.7494
  Dep-U Fr= 1--      0.3184                 0.8571                 0.8567
 Alpha2 Fr= 1--      0.0229                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0871                 0.7902                 0.5826
 AlphaG Fr= 1--      0.0109                -0.0001                 0.0005
 Gamma2 Fr= 1--      0.0612                -0.9407                -0.0282
 Delta2 Fr= 1--     -0.1729                 0.2461                -0.3363
 Raman1 Fr= 1--       6.563                 22.126                 16.321
 ROA1   Fr= 1--       0.345                -82.436                -13.471
 CID1   Fr= 1--       0.053                 -3.726                 -0.825
 Raman2 Fr= 1--       1.045                  9.483                  6.991
 ROA2   Fr= 1--       2.853                -24.547                  2.013
 CID2   Fr= 1--       2.730                 -2.589                  0.288
 Raman3 Fr= 1--       2.090                 18.966                 13.983
 ROA3   Fr= 1--       0.345                -82.436                -13.471
 CID3   Fr= 1--       0.165                 -4.347                 -0.963
 RC180  Fr= 1--      -0.363                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.07  -0.06    -0.01  -0.03   0.04    -0.05  -0.01  -0.01
     2   6     0.03  -0.03   0.00    -0.01  -0.02   0.01    -0.04  -0.01  -0.00
     3   6    -0.06   0.08  -0.06     0.01  -0.00   0.00     0.01  -0.01   0.01
     4   8    -0.01  -0.04   0.02    -0.00  -0.00   0.00     0.00   0.01  -0.00
     5   7    -0.01  -0.00   0.01     0.00   0.00  -0.00     0.01   0.00   0.00
     6   8     0.07  -0.04   0.04    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   1     0.06   0.08   0.04    -0.01   0.06   0.04     0.06   0.01  -0.01
     8   1     0.00   0.30   0.26     0.20   0.53  -0.38     0.05  -0.17  -0.41
     9   1    -0.09   0.39   0.10     0.38  -0.28  -0.07     0.57   0.35   0.09
    10   1    -0.27   0.15   0.34    -0.46   0.23  -0.19     0.16  -0.08   0.54
    11   1    -0.01   0.00   0.02     0.01   0.02   0.02     0.00   0.03  -0.02
    12   1     0.06   0.06  -0.03     0.03   0.01  -0.01    -0.01  -0.01   0.01
    13   1    -0.31   0.46  -0.32    -0.00   0.00   0.01     0.01  -0.02   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1659.3199              1842.0558              3035.7013
 Red. masses --      1.0924                 9.5048                 1.0458
 Frc consts  --      1.7721                19.0020                 5.6782
 IR Inten    --     38.7651               320.7162                10.8740
 RamAct Fr= 1--      3.2508                11.3669               228.7196
  Dep-P Fr= 1--      0.6205                 0.3222                 0.0279
  Dep-U Fr= 1--      0.7658                 0.4873                 0.0543
 Alpha2 Fr= 1--      0.0077                 0.1090                 4.7607
 Beta2  Fr= 1--      0.4149                 0.9232                 2.0699
 AlphaG Fr= 1--     -0.0154                 0.0103                 0.4899
 Gamma2 Fr= 1--     -0.6226                 0.2506                 1.2736
 Delta2 Fr= 1--     -0.2261                -0.3455                 0.8204
 Raman1 Fr= 1--      13.003                 45.468                914.878
 ROA1   Fr= 1--     -67.008                 13.003                148.516
 CID1   Fr= 1--      -5.153                  0.286                  0.162
 Raman2 Fr= 1--       4.979                 11.078                 24.839
 ROA2   Fr= 1--     -13.134                  8.779                 24.003
 CID2   Fr= 1--      -2.638                  0.792                  0.966
 Raman3 Fr= 1--       9.958                 22.157                 49.678
 ROA3   Fr= 1--     -67.008                 13.003                148.516
 CID3   Fr= 1--      -6.729                  0.587                  2.990
 RC180  Fr= 1--       0.532                 -0.025                 -0.891
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.01   0.01     0.03  -0.01  -0.04
     2   6    -0.02   0.01  -0.02    -0.04  -0.02   0.00     0.00  -0.01   0.03
     3   6     0.00  -0.01   0.01     0.50   0.48  -0.16    -0.00  -0.00   0.00
     4   8     0.00   0.00  -0.00    -0.31  -0.30   0.10     0.00   0.00  -0.00
     5   7    -0.05  -0.05  -0.01    -0.01  -0.01   0.00     0.00  -0.00  -0.00
     6   8    -0.00   0.00  -0.00    -0.06  -0.03   0.00     0.00  -0.00   0.00
     7   1     0.04   0.02  -0.02     0.16   0.03  -0.02    -0.02   0.13  -0.39
     8   1    -0.01  -0.04  -0.00    -0.00  -0.07  -0.05    -0.52   0.09  -0.15
     9   1    -0.02   0.00   0.01     0.01  -0.00   0.01     0.03  -0.21   0.61
    10   1     0.03  -0.02  -0.01     0.06  -0.02  -0.00     0.17   0.28  -0.03
    11   1     0.19   0.52   0.44    -0.00  -0.01   0.03    -0.00  -0.00  -0.00
    12   1     0.66   0.19  -0.15     0.01   0.01  -0.00    -0.00   0.00   0.01
    13   1     0.01  -0.02   0.00     0.30  -0.34   0.24    -0.00   0.00  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   3040.1381              3097.6657              3133.8202
 Red. masses --      1.0751                 1.1028                 1.0995
 Frc consts  --      5.8546                 6.2347                 6.3622
 IR Inten    --     22.9439                23.5526                 6.6228
 RamAct Fr= 1--     45.6333                58.2799                53.8829
  Dep-P Fr= 1--      0.7206                 0.6538                 0.6006
  Dep-U Fr= 1--      0.8376                 0.7907                 0.7505
 Alpha2 Fr= 1--      0.0231                 0.1004                 0.1490
 Beta2  Fr= 1--      6.3704                 7.6800                 6.7398
 AlphaG Fr= 1--     -0.0009                 0.1282                -0.0968
 Gamma2 Fr= 1--      0.7747                 3.0559                -2.1556
 Delta2 Fr= 1--     -0.5506                 3.2807                -1.9240
 Raman1 Fr= 1--     182.533                233.120                215.531
 ROA1   Fr= 1--      56.750                398.353               -268.507
 CID1   Fr= 1--       0.311                  1.709                 -1.246
 Raman2 Fr= 1--      76.445                 92.160                 80.878
 ROA2   Fr= 1--      22.997                 47.097                -36.342
 CID2   Fr= 1--       0.301                  0.511                 -0.449
 Raman3 Fr= 1--     152.890                184.320                161.756
 ROA3   Fr= 1--      56.750                398.353               -268.507
 CID3   Fr= 1--       0.371                  2.161                 -1.660
 RC180  Fr= 1--       0.675                  0.581                  0.501
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.00    -0.06   0.03  -0.07    -0.06  -0.07   0.02
     2   6    -0.00   0.02  -0.07    -0.00   0.00  -0.01    -0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   7    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   1     0.05  -0.28   0.84     0.01  -0.05   0.15    -0.00   0.01  -0.04
     8   1    -0.36   0.06  -0.10     0.67  -0.11   0.18     0.23  -0.05   0.07
     9   1     0.01  -0.05   0.17     0.01  -0.22   0.65    -0.02   0.08  -0.26
    10   1     0.11   0.17  -0.02    -0.00   0.02  -0.02     0.47   0.79  -0.06
    11   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    12   1     0.01  -0.01  -0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.00  -0.01   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3453.6614              3510.3946              3587.2423
 Red. masses --      1.0641                 1.0494                 1.0949
 Frc consts  --      7.4779                 7.6193                 8.3011
 IR Inten    --    246.2172                 0.7138                 9.6433
 RamAct Fr= 1--     68.3954               114.5208                50.7555
  Dep-P Fr= 1--      0.0924                 0.0926                 0.7436
  Dep-U Fr= 1--      0.1692                 0.1694                 0.8530
 Alpha2 Fr= 1--      1.2200                 2.0418                 0.0055
 Beta2  Fr= 1--      1.9282                 3.2340                 7.2154
 AlphaG Fr= 1--      0.0021                -0.2696                -0.0432
 Gamma2 Fr= 1--     -0.1264                 1.8084                -6.4548
 Delta2 Fr= 1--     -1.4115                 2.9875                -0.8635
 Raman1 Fr= 1--     273.581                458.083                203.022
 ROA1   Fr= 1--     -57.303                269.210               -647.294
 CID1   Fr= 1--      -0.209                  0.588                 -3.188
 Raman2 Fr= 1--      23.139                 38.807                 86.584
 ROA2   Fr= 1--       8.259                 19.503               -148.008
 CID2   Fr= 1--       0.357                  0.503                 -1.709
 Raman3 Fr= 1--      46.277                 77.615                173.168
 ROA3   Fr= 1--     -57.303                269.210               -647.294
 CID3   Fr= 1--      -1.238                  3.469                 -3.738
 RC180  Fr= 1--      -0.662                 -0.661                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.01   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   7    -0.01  -0.00  -0.00    -0.04  -0.03  -0.03    -0.05   0.03   0.06
     6   8    -0.05  -0.03   0.01     0.01   0.00  -0.00     0.00   0.00  -0.00
     7   1    -0.00  -0.01   0.01     0.00   0.00   0.01    -0.00   0.00  -0.01
     8   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    11   1     0.09  -0.01  -0.03     0.61  -0.07  -0.24     0.70  -0.08  -0.24
    12   1    -0.00   0.04   0.07    -0.02   0.40   0.62    -0.01  -0.35  -0.56
    13   1     0.81   0.56  -0.11    -0.10  -0.07   0.01    -0.02  -0.01   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  8 and mass  15.99491
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Molecular mass:    89.04768 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   361.21667 561.13343 778.07344
           X            0.99918  -0.04047  -0.00213
           Y            0.04053   0.99832   0.04146
           Z            0.00045  -0.04151   0.99914
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.23978     0.15436     0.11132
 Rotational constants (GHZ):           4.99628     3.21624     2.31950
 Zero-point vibrational energy     284278.0 (Joules/Mol)
                                   67.94406 (Kcal/Mol)
 Warning -- explicit consideration of   7 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    102.24   345.27   368.38   406.81   487.80
          (Kelvin)            565.05   766.03   919.39  1071.54  1154.21
                             1216.97  1257.86  1354.50  1461.68  1525.38
                             1628.21  1736.10  1830.95  1922.65  1958.79
                             2024.59  2035.00  2155.43  2160.58  2387.39
                             2650.31  4367.70  4374.08  4456.85  4508.87
                             4969.05  5050.67  5161.24
 
 Zero-point correction=                           0.108276 (Hartree/Particle)
 Thermal correction to Energy=                    0.114858
 Thermal correction to Enthalpy=                  0.115802
 Thermal correction to Gibbs Free Energy=         0.078008
 Sum of electronic and zero-point Energies=           -323.796661
 Sum of electronic and thermal Energies=              -323.790078
 Sum of electronic and thermal Enthalpies=            -323.789134
 Sum of electronic and thermal Free Energies=         -323.826929
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   72.074             23.295             79.545
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.372
 Rotational               0.889              2.981             26.558
 Vibrational             70.297             17.333             13.615
 Vibration     1          0.598              1.968              4.124
 Vibration     2          0.657              1.779              1.803
 Vibration     3          0.666              1.753              1.689
 Vibration     4          0.682              1.706              1.517
 Vibration     5          0.719              1.597              1.217
 Vibration     6          0.760              1.486              0.990
 Vibration     7          0.887              1.178              0.582
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.131520D-35        -35.881009        -82.619077
 Total V=0       0.836255D+14         13.922339         32.057369
 Vib (Bot)       0.280111D-48        -48.552670       -111.796654
 Vib (Bot)    1  0.290185D+01          0.462675          1.065348
 Vib (Bot)    2  0.817096D+00         -0.087727         -0.201998
 Vib (Bot)    3  0.760083D+00         -0.119139         -0.274328
 Vib (Bot)    4  0.678993D+00         -0.168134         -0.387144
 Vib (Bot)    5  0.548017D+00         -0.261206         -0.601450
 Vib (Bot)    6  0.456240D+00         -0.340806         -0.784735
 Vib (Bot)    7  0.299708D+00         -0.523302         -1.204948
 Vib (V=0)       0.178106D+02          1.250678          2.879792
 Vib (V=0)    1  0.344461D+01          0.537140          1.236810
 Vib (V=0)    2  0.145794D+01          0.163739          0.377024
 Vib (V=0)    3  0.140979D+01          0.149156          0.343444
 Vib (V=0)    4  0.134323D+01          0.128149          0.295075
 Vib (V=0)    5  0.124184D+01          0.094065          0.216592
 Vib (V=0)    6  0.117687D+01          0.070729          0.162860
 Vib (V=0)    7  0.108294D+01          0.034606          0.079684
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.330284D+08          7.518888         17.312879
 Rotational      0.142159D+06          5.152773         11.864698
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3 3           3333                                         1      1   11  1111 1  1 1  1 1                                   
     5  5 4           1000                                         8      6   54  4433 2  2 1  0 0 9  888 7   6   5    33 222        
     8  1 5           3943                                         4      5   09  1063 7  0 3  6 1 4  740 4   3   3    93 854     7  
     7  0 4           4806                                         2      9   28  4716 3  7 2  0 6 1  462 5   9   2    39 360     1  
 
     X  X X           XXXX                                         X      X   XX  XXXX X  X X  X X X  XXX X   X   X    XX XXX     X  
          X                                                        X      X       XXX          X   X  XX                  X          
          X                                                        X              XX                  XX                             
          X                                                        X              XX                  XX                             
          X                                                        X              XX                  XX                             
          X                                                        X              XX                                                 
          X                                                        X              XX                                                 
          X                                                        X              XX                                                 
          X                                                        X              XX                                                 
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X                                                                 
          X                                                        X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000001164   -0.000000886    0.000001415
      2        6           0.000016490    0.000020053    0.000004374
      3        6          -0.000007848    0.000042400   -0.000024156
      4        8          -0.000004338   -0.000006686   -0.000000567
      5        7           0.000011045   -0.000025000    0.000006469
      6        8          -0.000010862   -0.000025158    0.000015845
      7        1          -0.000005428   -0.000000338    0.000000884
      8        1          -0.000001419   -0.000002172    0.000001096
      9        1          -0.000001571    0.000003068   -0.000002079
     10        1           0.000000703    0.000000149   -0.000002611
     11        1          -0.000004210    0.000003792    0.000000261
     12        1          -0.000001060    0.000001901   -0.000004464
     13        1           0.000007333   -0.000011123    0.000003533
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000042400 RMS     0.000011661
 Force constants in Cartesian coordinates: 
                1             2             3             4             5 
      1  0.560449D+00
      2  0.390114D-01  0.528359D+00
      3  0.257305D-01 -0.484977D-01  0.523877D+00
      4 -0.956741D-01  0.181657D-01  0.230134D-01  0.449421D+00
      5  0.367352D-01 -0.117455D+00 -0.422128D-01  0.506987D-02  0.477556D+00
      6  0.362255D-01 -0.383800D-01 -0.117902D+00 -0.258494D-02 -0.518976D-01
      7 -0.197095D-01  0.178730D-01  0.671031D-02 -0.137951D+00  0.547164D-02
      8  0.246513D-01 -0.482219D-02  0.560729D-02  0.278348D-01 -0.726638D-01
      9  0.231860D-01 -0.140194D-02  0.829652D-02 -0.238542D-01 -0.377183D-02
     10  0.521506D-03 -0.381037D-02 -0.189045D-02 -0.271805D-01 -0.308966D-01
     11 -0.739015D-03 -0.305251D-02 -0.217968D-02 -0.150939D-01  0.295821D-02
     12 -0.283159D-02 -0.275400D-03 -0.213304D-03 -0.177216D-02  0.275395D-02
     13  0.499935D-02  0.974924D-02 -0.215037D-02 -0.103127D+00 -0.642390D-01
     14 -0.170145D-01 -0.343644D-01 -0.565609D-03 -0.279652D-01 -0.164781D+00
     15 -0.115233D-01 -0.230453D-01  0.217886D-02  0.167306D-01 -0.521200D-02
     16 -0.107439D-02 -0.381690D-03 -0.218114D-02 -0.108058D-01  0.234136D-01
     17 -0.155777D-03  0.182825D-02  0.114377D-02  0.421169D-02 -0.160925D-01
     18 -0.470625D-02 -0.507752D-03 -0.435883D-02 -0.939478D-02  0.221661D-01
     19  0.100633D-02 -0.305459D-02  0.146393D-01 -0.502546D-01  0.340778D-02
     20 -0.697502D-03  0.674794D-02 -0.246419D-01  0.445224D-02 -0.691881D-01
     21 -0.814681D-03  0.356653D-02 -0.204071D-01 -0.177092D-01  0.747975D-01
     22 -0.281579D+00  0.409734D-01 -0.659513D-01 -0.145814D-01  0.172700D-02
     23  0.401166D-01 -0.539943D-01  0.128690D-01  0.242346D-01 -0.749459D-02
     24 -0.680543D-01  0.124323D-01 -0.663586D-01  0.229069D-01 -0.533432D-02
     25 -0.492184D-01  0.328751D-02 -0.896851D-02 -0.127825D-02 -0.493158D-02
     26  0.236920D-02 -0.747641D-01  0.803155D-01 -0.606825D-04  0.625680D-02
     27 -0.807778D-02  0.785230D-01 -0.279549D+00  0.158661D-02  0.566729D-02
     28 -0.119652D+00 -0.122256D+00  0.101919D-01  0.652159D-02  0.115959D-01
     29 -0.117696D+00 -0.244759D+00  0.164585D-01 -0.106863D-01 -0.189200D-01
     30  0.112882D-01  0.185693D-01 -0.486029D-01 -0.118613D-01 -0.165290D-01
     31  0.277090D-02  0.188198D-02  0.458267D-03 -0.154162D-01  0.493498D-02
     32 -0.170575D-02  0.241419D-02  0.916698D-04 -0.338057D-01  0.656224D-03
     33 -0.115046D-02 -0.187741D-02  0.183167D-02  0.410841D-02  0.391169D-02
     34 -0.111072D-02 -0.387599D-03  0.769839D-03 -0.329065D-03 -0.442098D-02
     35 -0.466462D-02 -0.549700D-02  0.152519D-02  0.381286D-03 -0.184367D-01
     36  0.498649D-03  0.124844D-02  0.244973D-03 -0.646518D-03  0.112314D-01
     37 -0.172818D-02 -0.105210D-02 -0.371777D-03  0.654387D-03  0.121324D-01
     38 -0.210102D-03 -0.641168D-03  0.867469D-04  0.326164D-02 -0.239523D-02
     39  0.229457D-03 -0.353940D-03  0.962391D-03 -0.522844D-03  0.442960D-02
                6             7             8             9            10 
      6  0.572846D+00
      7 -0.194268D-01  0.739504D+00
      8 -0.230330D-02  0.260050D+00  0.717733D+00
      9 -0.960729D-01 -0.410551D-01 -0.208645D+00  0.335275D+00
     10  0.932502D-02 -0.428298D+00 -0.300762D+00  0.919644D-01  0.441275D+00
     11  0.811933D-02 -0.311842D+00 -0.384627D+00  0.104719D+00  0.363061D+00
     12  0.165181D-01  0.971746D-01  0.106351D+00 -0.115222D+00 -0.115269D+00
     13  0.295704D-01 -0.214668D-01 -0.246705D-01 -0.859476D-03 -0.107825D-01
     14  0.204497D-01 -0.821869D-02 -0.108228D-01  0.437226D-03 -0.166040D-02
     15 -0.878021D-01 -0.192594D-02  0.478769D-02 -0.996432D-03  0.136792D-02
     16 -0.222509D-01 -0.149029D+00  0.285125D-01 -0.350012D-01  0.269225D-01
     17  0.204211D-01  0.765286D-01 -0.193140D+00  0.910266D-01 -0.271386D-01
     18  0.793529D-02 -0.612742D-01  0.807043D-01 -0.113095D+00  0.176107D-01
     19 -0.192824D-01 -0.212651D-02  0.967707D-02 -0.337060D-01  0.439914D-03
     20  0.745080D-01  0.304952D-02 -0.218734D-02  0.803205D-02 -0.827161D-03
     21 -0.277109D+00  0.728953D-03  0.495704D-02 -0.934757D-02 -0.249128D-03
     22 -0.278767D-02  0.142636D-02  0.814352D-03  0.324797D-02 -0.407820D-03
     23  0.423867D-02 -0.224273D-02 -0.356699D-02 -0.379835D-02  0.969923D-03
     24  0.373795D-02 -0.896958D-03 -0.345841D-02 -0.341758D-02  0.786540D-03
     25  0.146461D-01  0.135627D-02 -0.117048D-02  0.171035D-02 -0.653554D-03
     26 -0.240707D-01 -0.129055D-02  0.134335D-02 -0.238631D-03 -0.830574D-04
     27 -0.211518D-01 -0.195481D-02  0.121756D-02 -0.794758D-03  0.688124D-03
     28 -0.261241D-02  0.757642D-03  0.182719D-02 -0.756104D-03 -0.547325D-03
     29  0.358232D-02 -0.262340D-02 -0.287859D-02  0.101332D-02  0.457655D-03
     30  0.158670D-02 -0.586394D-03 -0.522573D-03  0.909177D-03 -0.165404D-03
     31 -0.738830D-03  0.109714D-02 -0.239025D-02  0.129542D-02 -0.220295D-02
     32  0.116608D-01  0.836646D-03 -0.637440D-02  0.288192D-02 -0.250647D-02
     33 -0.456551D-02 -0.178495D-02  0.529688D-03 -0.151773D-02 -0.124949D-02
     34 -0.159644D-01  0.412098D-03 -0.321361D-02 -0.350815D-03 -0.921065D-03
     35 -0.290751D-01  0.243167D-05 -0.796591D-03 -0.259547D-03 -0.179899D-03
     36  0.498207D-02 -0.150475D-03 -0.160099D-02  0.272185D-03  0.122847D-03
     37 -0.411863D-02  0.140269D-01 -0.211609D-01  0.141788D-01  0.183521D-02
     38  0.274677D-02 -0.375945D-01 -0.371965D-01  0.100051D-01  0.337616D-02
     39 -0.300279D-02  0.244417D-01  0.123752D-01 -0.428908D-02 -0.304167D-02
               11            12            13            14            15 
     11  0.457067D+00
     12 -0.157169D+00  0.950587D-01
     13 -0.435375D-02  0.767549D-03  0.577479D+00
     14  0.235514D-02 -0.295639D-03  0.635867D-01  0.410176D+00
     15 -0.181746D-02  0.260672D-02 -0.152347D+00  0.204758D+00  0.469734D+00
     16 -0.426883D-01  0.262795D-01 -0.180993D-01  0.269298D-02 -0.637952D-02
     17 -0.774144D-01  0.443804D-01 -0.119441D-01  0.675786D-02 -0.412182D-02
     18  0.411179D-01 -0.375856D-02 -0.122274D-02  0.513389D-03  0.456193D-02
     19  0.371480D-03  0.364106D-02 -0.947111D-03 -0.117487D-01  0.169965D-01
     20  0.305041D-03 -0.153853D-02 -0.514445D-02 -0.204801D-01  0.262623D-01
     21 -0.129726D-02  0.232149D-02  0.148010D-02  0.258115D-02  0.289192D-02
     22  0.196080D-03 -0.377174D-03  0.178209D-02 -0.825651D-03 -0.206970D-03
     23  0.153325D-02  0.597457D-03  0.640189D-03  0.240254D-02  0.176759D-03
     24  0.726363D-03  0.522819D-03  0.981642D-04  0.178309D-02  0.269262D-03
     25  0.598701D-04 -0.401066D-03  0.190513D-03 -0.421136D-03 -0.111760D-02
     26  0.861572D-04  0.523108D-04  0.110900D-03  0.218241D-02  0.718070D-03
     27 -0.138958D-03  0.270958D-03 -0.344934D-03  0.728519D-03  0.199700D-02
     28 -0.323562D-03 -0.126365D-04 -0.730117D-03  0.258874D-02  0.214552D-02
     29  0.227245D-02  0.165925D-03  0.177390D-02 -0.234411D-02 -0.419019D-02
     30  0.547027D-03 -0.451021D-03  0.181930D-02 -0.370472D-02 -0.199069D-02
     31 -0.104788D-02  0.190697D-04 -0.384646D+00  0.291168D-01  0.137962D+00
     32  0.313490D-03 -0.772619D-03  0.474960D-01 -0.534599D-01 -0.408491D-01
     33 -0.103188D-02  0.648598D-03  0.998909D-01 -0.290754D-01 -0.637677D-01
     34  0.387371D-03  0.255584D-03 -0.506859D-01 -0.280652D-01 -0.557394D-02
     35 -0.753917D-04  0.369383D-03 -0.136311D-01 -0.132207D+00 -0.156284D+00
     36  0.359025D-03 -0.309661D-03  0.183224D-01 -0.195113D+00 -0.323069D+00
     37  0.120133D-01 -0.747329D-02  0.603302D-02 -0.206582D-02  0.387171D-02
     38 -0.172187D-02  0.538057D-02  0.625953D-03 -0.541436D-02 -0.118269D-02
     39  0.804580D-02  0.200743D-02  0.497556D-02 -0.249692D-02 -0.661445D-02
               16            17            18            19            20 
     16  0.483601D+00
     17  0.122018D+00  0.404096D+00
     18  0.392701D-01 -0.168951D+00  0.135054D+00
     19 -0.550254D-02  0.398707D-02  0.184888D-03  0.572173D-01
     20  0.176248D-02  0.849562D-03 -0.566179D-03 -0.244680D-02  0.856019D-01
     21 -0.159201D-02 -0.183991D-03  0.263743D-03  0.154302D-01 -0.819194D-01
     22 -0.255078D-03  0.744234D-03 -0.726431D-03  0.517176D-03 -0.388113D-03
     23  0.694227D-03 -0.365163D-03  0.136476D-02 -0.104295D-02  0.951075D-03
     24  0.951225D-03 -0.672525D-03  0.172250D-02 -0.782390D-04  0.103491D-02
     25 -0.861133D-04  0.880618D-04 -0.539976D-03 -0.328341D-03  0.232693D-02
     26 -0.197080D-03 -0.238256D-03  0.138920D-03  0.198246D-02 -0.305857D-02
     27  0.489219D-03 -0.882175D-03  0.955924D-03  0.193198D-02 -0.330931D-02
     28 -0.195970D-03 -0.392072D-03  0.557719D-03  0.499259D-03 -0.434125D-03
     29  0.639322D-03  0.826376D-03 -0.494141D-03 -0.105004D-03  0.824768D-03
     30  0.153742D-03  0.389671D-03 -0.879678D-04 -0.596102D-03  0.521071D-03
     31 -0.393622D-03 -0.331712D-04 -0.629271D-03  0.123687D-03  0.801240D-03
     32  0.165229D-02  0.224819D-02  0.447821D-03 -0.124682D-02 -0.193085D-02
     33 -0.341481D-02 -0.221225D-02 -0.768484D-03  0.120746D-02  0.115411D-02
     34 -0.183105D-02  0.131875D-02  0.787720D-03  0.596208D-03 -0.660169D-03
     35  0.150498D-02 -0.298556D-03 -0.758967D-03  0.146664D-02  0.221104D-02
     36 -0.836890D-03  0.102435D-02  0.593428D-03 -0.251422D-05  0.692359D-03
     37 -0.323251D+00 -0.169233D+00  0.200824D-01 -0.124080D-02 -0.179408D-02
     38 -0.139623D+00 -0.129057D+00  0.248246D-01 -0.124766D-02 -0.646333D-03
     39  0.451270D-02  0.186375D-01 -0.290181D-01 -0.366068D-03 -0.229454D-03
               21            22            23            24            25 
     21  0.298577D+00
     22  0.323976D-03  0.306885D+00
     23  0.487868D-03 -0.471483D-01  0.564758D-01
     24  0.124411D-02  0.713182D-01 -0.103569D-01  0.691509D-01
     25  0.181616D-02  0.511726D-03  0.999566D-02 -0.295394D-01  0.487674D-01
     26 -0.310500D-02 -0.247645D-03 -0.245514D-02  0.397720D-02 -0.518837D-02
     27 -0.814158D-03 -0.338819D-03  0.230840D-02 -0.678292D-02  0.643921D-02
     28 -0.291946D-03 -0.144373D-01 -0.259655D-01  0.271808D-02  0.662800D-03
     29 -0.174333D-03  0.326417D-02  0.684052D-02 -0.691045D-03 -0.411826D-02
     30  0.374573D-03 -0.429984D-02 -0.811186D-02 -0.235810D-03  0.163256D-01
     31 -0.143132D-03  0.305628D-03 -0.705004D-03 -0.673338D-03 -0.179508D-04
     32  0.313607D-03  0.105530D-02 -0.871977D-03  0.352570D-03 -0.659915D-04
     33 -0.142553D-03 -0.208353D-03  0.284752D-03  0.522596D-03 -0.652619D-03
     34  0.723583D-03  0.235537D-03 -0.173066D-03  0.106727D-03 -0.183030D-03
     35  0.413390D-03  0.620857D-04  0.272877D-03  0.134698D-03 -0.153149D-03
     36  0.196827D-02  0.347080D-04 -0.167525D-04 -0.651958D-04  0.184370D-04
     37  0.297061D-03 -0.402220D-03  0.626320D-03  0.356395D-03  0.276911D-03
     38 -0.437111D-03 -0.226916D-03  0.272083D-03  0.721012D-04  0.290942D-03
     39  0.178703D-03 -0.283433D-04 -0.437772D-04 -0.310036D-03  0.263345D-03
               26            27            28            29            30 
     26  0.779937D-01
     27 -0.842900D-01  0.307186D+00
     28  0.272286D-02 -0.839832D-05  0.126425D+00
     29 -0.748942D-02  0.641211D-03  0.129389D+00  0.266566D+00
     30  0.264117D-01 -0.842803D-03 -0.121140D-01 -0.164601D-01  0.498584D-01
     31 -0.526466D-03 -0.566611D-03 -0.595904D-04  0.644193D-03  0.307467D-03
     32  0.558889D-05 -0.383319D-03  0.436254D-03  0.212235D-03  0.234325D-03
     33  0.444882D-04 -0.587866D-03  0.116377D-03 -0.184020D-03 -0.934590D-03
     34  0.143295D-03 -0.746069D-04  0.527307D-03 -0.289275D-03 -0.669776D-04
     35  0.289146D-03  0.119197D-03  0.869606D-03 -0.120458D-02 -0.124901D-02
     36  0.171845D-03  0.436044D-03  0.556634D-04  0.480510D-03  0.626395D-03
     37  0.265136D-03  0.230818D-03  0.228469D-03 -0.649386D-03 -0.204225D-03
     38 -0.151714D-03 -0.201427D-03 -0.582308D-04  0.540185D-04 -0.957416D-04
     39 -0.125690D-03 -0.323328D-03  0.102866D-04 -0.147925D-03 -0.209440D-03
               31            32            33            34            35 
     31  0.398035D+00
     32 -0.323111D-01  0.594308D-01
     33 -0.133488D+00  0.321541D-01  0.784434D-01
     34  0.102040D-02  0.214025D-01  0.341339D-01  0.510040D-01
     35  0.186977D-03 -0.219862D-02 -0.359156D-02  0.156565D-01  0.156629D+00
     36 -0.527307D-02 -0.397914D-02 -0.121445D-01 -0.121369D-01  0.187057D+00
     37 -0.616471D-03 -0.123723D-02  0.249213D-02  0.126526D-02 -0.150174D-02
     38 -0.552340D-03 -0.445005D-03 -0.106378D-03 -0.169849D-02  0.131258D-02
     39  0.147066D-02 -0.215268D-02  0.298257D-02 -0.260963D-02  0.160002D-02
               36            37            38            39 
     36  0.328761D+00
     37 -0.633851D-05  0.302918D+00
     38 -0.155470D-02  0.173657D+00  0.176031D+00
     39 -0.229640D-02 -0.293351D-01 -0.395378D-01  0.399326D-01
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.604266D+02  0.220322D+01 -0.318072D+00
      2   0.220322D+01  0.585276D+02 -0.249530D+01
      3  -0.318072D+00 -0.249530D+01  0.480744D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.288333D+01 -0.217578D+01 -0.725940D+01
      2   0.299047D+00 -0.574464D+01 -0.176872D+02
      3  -0.508746D-01  0.125486D+02  0.278460D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.388521D+02  0.323089D+01 -0.369869D+01
      2   0.195454D+02  0.828044D+01  0.330092D+01
      3   0.193067D+02 -0.115113D+02  0.397763D+00
      4   0.226405D+02 -0.270547D+02 -0.176303D+02
      5  -0.155028D+01 -0.176327D+02 -0.339834D+02
      6  -0.108862D+02  0.439583D+01  0.829502D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.654652D+01 -0.237234D+01  0.171999D+01 -0.906733D+00 -0.335516D+01
      2  -0.237234D+01 -0.347378D+01 -0.992401D+00 -0.335516D+01 -0.263227D+01
      3   0.171999D+01 -0.992401D+00 -0.469865D+00 -0.127584D+01  0.114535D+01
                 6             7             8             9            10 
      1  -0.127584D+01  0.338865D+01 -0.153404D+01 -0.429553D+00 -0.432923D+01
      2   0.114535D+01 -0.153404D+01  0.174343D+01  0.238646D+01  0.535906D+00
      3   0.277012D+01 -0.429553D+00  0.238646D+01 -0.565612D+01 -0.110083D+01
                11            12            13            14            15 
      1   0.535906D+00 -0.110083D+01 -0.495951D+00  0.264649D+01  0.142526D+01
      2   0.265522D+01  0.830253D+00  0.264649D+01  0.792391D+00 -0.746953D-01
      3   0.830253D+00  0.438017D+00  0.142526D+01 -0.746953D-01 -0.318452D+01
                16            17            18            19            20 
      1  -0.252056D+01  0.102024D+01  0.510028D+00  0.135061D+01 -0.199308D+01
      2   0.102024D+01 -0.481312D+00 -0.368634D+01 -0.199308D+01 -0.204496D+01
      3   0.510028D+00 -0.368634D+01  0.571145D+01  0.181314D+01  0.840555D+00
                21            22            23            24            25 
      1   0.181314D+01 -0.352936D+01 -0.272877D+01  0.965766D+00  0.239066D+01
      2   0.840555D+00 -0.272877D+01 -0.165458D+01  0.215225D-01  0.110865D+01
      3   0.774527D-01  0.965766D+00  0.215225D-01 -0.212195D+00 -0.218218D+00
                26            27            28            29            30 
      1   0.110865D+01 -0.218218D+00  0.847015D+01  0.403760D+01 -0.203770D+01
      2  -0.141357D+00  0.487415D+00  0.403760D+01  0.351585D+01 -0.880401D+00
      3   0.487415D+00 -0.547404D+00 -0.203770D+01 -0.880401D+00  0.170677D+01
                31            32            33            34            35 
      1   0.442723D+01  0.362029D+01 -0.687990D+00 -0.170491D+01 -0.505120D+00
      2   0.362029D+01  0.699644D+01 -0.119240D+01 -0.505120D+00 -0.886153D+00
      3  -0.687990D+00 -0.119240D+01  0.187605D+01  0.281116D+01  0.212096D+01
                36            37            38            39            40 
      1   0.281116D+01  0.482620D+01 -0.680097D+00 -0.680831D+00 -0.847428D+00
      2   0.212096D+01 -0.680097D+00 -0.112533D+01  0.554412D+00 -0.120042D+01
      3  -0.227030D+01 -0.680831D+00  0.554412D+00 -0.275253D+00  0.333747D+00
                41            42            43            44            45 
      1  -0.120042D+01  0.333747D+00 -0.871382D+00  0.852056D+00 -0.214795D+00
      2  -0.323864D+01  0.122269D+01  0.852056D+00  0.300109D+01  0.228104D+01
      3   0.122269D+01  0.232893D+01 -0.214795D+00  0.228104D+01  0.232501D+01
                46            47            48            49            50 
      1   0.616301D+01 -0.943065D+00  0.185532D+01  0.188515D+01  0.252852D+01
      2  -0.943065D+00  0.282863D+01 -0.919506D+00  0.252852D+01 -0.356032D+01
      3   0.185532D+01 -0.919506D+00  0.106307D+01 -0.102190D+00  0.749419D+00
                51            52            53            54            55 
      1  -0.102190D+00  0.413731D+00 -0.929697D+00  0.956142D+00  0.150280D+00
      2   0.749419D+00 -0.929697D+00  0.894482D+00 -0.179719D+01  0.391450D+00
      3  -0.545112D+00  0.956142D+00 -0.179719D+01  0.253658D+01 -0.108237D+01
                56            57            58            59            60 
      1   0.391450D+00 -0.108237D+01  0.620769D+00 -0.515743D+00 -0.118322D+00
      2  -0.516940D+00 -0.142202D+00 -0.515743D+00  0.179481D+01 -0.161130D+01
      3  -0.142202D+00 -0.403717D+00 -0.118322D+00 -0.161130D+01  0.226997D+01
                61            62            63            64            65 
      1  -0.118042D+01 -0.182733D+00 -0.332136D+00 -0.956999D+01  0.265646D+01
      2  -0.182733D+00 -0.215840D+01  0.216762D+01  0.265646D+01 -0.195408D+01
      3  -0.332136D+00  0.216762D+01 -0.831510D+01 -0.738616D+00  0.665740D-01
                66            67            68            69            70 
      1  -0.738616D+00  0.137342D+01 -0.134468D+01  0.293690D+00 -0.209429D+01
      2   0.665740D-01 -0.134468D+01  0.160050D+01 -0.335553D+00  0.635098D+00
      3  -0.137813D+01  0.293690D+00 -0.335553D+00 -0.281299D-02 -0.120596D+01
                71            72            73            74            75 
      1   0.635098D+00 -0.120596D+01 -0.728200D+00  0.100458D+00  0.867216D+00
      2  -0.911616D+00  0.918111D-01  0.100458D+00  0.469612D+00  0.167431D+00
      3   0.918111D-01 -0.158459D+00  0.867216D+00  0.167431D+00  0.114612D+00
                76            77            78            79            80 
      1  -0.442818D+00  0.345734D+00  0.389196D+00  0.119248D+01 -0.303072D-01
      2   0.345734D+00 -0.549100D+00  0.884678D+00 -0.303072D-01  0.153342D+01
      3   0.389196D+00  0.884678D+00 -0.199248D+01 -0.735386D+00 -0.306427D+00
                81            82            83            84            85 
      1  -0.735386D+00  0.111520D+01  0.145162D+01 -0.179816D+00  0.172232D+01
      2  -0.306427D+00  0.145162D+01  0.297116D+01  0.436092D+00  0.169555D+01
      3   0.837807D+01 -0.179816D+00  0.436092D+00  0.835127D+00  0.115239D+00
                86            87            88            89            90 
      1   0.169555D+01  0.115239D+00 -0.445864D+00  0.258095D+00  0.374074D+00
      2   0.746050D+01  0.329961D+00  0.258095D+00 -0.390823D+00  0.803336D+00
      3   0.329961D+00  0.917030D+00  0.374074D+00  0.803336D+00  0.489804D+00
                91            92            93            94            95 
      1  -0.867110D+01 -0.140562D+01  0.106093D+01 -0.184535D+00 -0.590616D+00
      2  -0.140562D+01 -0.158944D+01 -0.211827D+00 -0.590616D+00 -0.263673D+00
      3   0.106093D+01 -0.211827D+00 -0.126286D+01 -0.340023D+00  0.136760D+00
                96            97            98            99           100 
      1  -0.340023D+00  0.261511D+01 -0.289560D-01 -0.749603D+00 -0.465368D+00
      2   0.136760D+00 -0.289560D-01  0.544048D+00 -0.333803D+00 -0.755607D+00
      3  -0.620216D-01 -0.749603D+00 -0.333803D+00  0.554714D+00 -0.538663D+00
               101           102           103           104           105 
      1  -0.755607D+00 -0.538663D+00 -0.105624D+01 -0.815784D+00 -0.758730D+00
      2  -0.257845D+00 -0.394425D+00 -0.815784D+00 -0.354519D+01 -0.218402D+01
      3  -0.394425D+00  0.200974D+00 -0.758730D+00 -0.218402D+01 -0.299855D+01
               106           107           108           109           110 
      1  -0.118292D+01 -0.875316D+00 -0.756299D+00 -0.485808D+01 -0.102368D+01
      2  -0.875316D+00 -0.362220D+01 -0.343452D+01 -0.102368D+01 -0.147809D+01
      3  -0.756299D+00 -0.343452D+01 -0.431718D+01 -0.957786D+00  0.645446D+00
               111           112           113           114           115 
      1  -0.957786D+00 -0.256583D+01 -0.285424D+00 -0.239809D+00 -0.282021D-03
      2   0.645446D+00 -0.285424D+00 -0.320088D+01  0.907604D+00  0.212025D+00
      3  -0.646204D+00 -0.239809D+00  0.907604D+00 -0.116441D+01 -0.945012D-02
               116           117 
      1   0.212025D+00 -0.945012D-02
      2   0.875393D+00 -0.780354D+00
      3  -0.780354D+00  0.126893D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.397156D+01 -0.896541D+00  0.151246D-01  0.820931D+00 -0.497102D+01
      2  -0.544882D+01  0.355227D+01  0.228727D+01  0.369404D+01  0.270187D+00
      3   0.475139D+01 -0.106534D+02  0.100613D+01 -0.430457D+01 -0.107075D+02
                 6             7             8             9            10 
      1  -0.675261D+01 -0.199077D+00 -0.407838D+00  0.958203D+01  0.504612D+00
      2  -0.328249D+01 -0.232288D+01 -0.256362D+01  0.763362D+01 -0.454442D+01
      3  -0.611993D+00  0.150123D+01  0.148476D+00  0.329323D+01 -0.284215D+01
                11            12            13            14            15 
      1  -0.916585D+00  0.173961D+01  0.634234D+00 -0.206403D+01  0.201213D+01
      2   0.182473D+01  0.297794D+01 -0.114930D+01  0.133676D+01  0.147476D+01
      3  -0.239096D+01 -0.235332D+01  0.286304D+01  0.447524D+01 -0.172936D+01
                16            17            18            19            20 
      1  -0.129389D+00  0.509782D+01 -0.753564D+00  0.202796D+01  0.155428D+00
      2  -0.548491D+01  0.258295D+01 -0.200840D+01  0.441879D+01 -0.342322D+01
      3  -0.109439D+01 -0.198583D+00 -0.200106D+01 -0.218554D+01  0.473091D+01
                21            22            23            24            25 
      1   0.204804D+01 -0.286794D+01  0.748603D+01  0.288360D+01 -0.357615D+01
      2  -0.617865D+01 -0.669081D+01  0.633550D+00 -0.301458D+01 -0.142687D+02
      3   0.158170D+01  0.801329D+01  0.455500D+01  0.141451D+01  0.504284D+01
                26            27            28            29            30 
      1   0.716294D+01 -0.741152D+01 -0.752746D+00 -0.209042D+01 -0.422937D+01
      2   0.132033D+01 -0.153889D+01  0.118434D+01  0.248505D+00  0.874930D+01
      3  -0.941360D-02  0.125158D+01  0.139823D+01 -0.104519D+02  0.794850D+00
                31            32            33            34            35 
      1   0.838057D+00 -0.298494D+01 -0.599442D+01  0.163610D+01  0.255320D+01
      2   0.387791D+01 -0.166911D+01  0.438273D+01  0.218481D+01  0.175023D+01
      3   0.157785D+01 -0.107869D+02  0.766811D+00 -0.132383D+01  0.119296D+01
                36            37            38            39            40 
      1   0.192109D+01 -0.200053D+01  0.231665D+01 -0.103119D+01  0.208190D+01
      2  -0.188525D+01  0.154320D+01 -0.142432D+01  0.339090D+01 -0.990968D+00
      3  -0.347168D+01 -0.107862D+02 -0.683589D+01  0.255066D+01  0.509770D+01
                41            42            43            44            45 
      1   0.526655D+01 -0.192237D+01  0.983407D+00  0.820738D+01  0.538137D+01
      2  -0.281908D+01 -0.278421D+01 -0.374982D+01 -0.376203D+01 -0.271469D+01
      3  -0.208184D+01  0.103064D+01  0.360110D+01  0.122052D+01  0.326049D+01
                46            47            48            49            50 
      1   0.295766D+01  0.249796D+01  0.324755D+01  0.308234D+01 -0.100340D+01
      2  -0.636236D+01 -0.220018D+01  0.479227D+01 -0.667520D+00  0.482239D+00
      3  -0.130241D+02 -0.943988D+01 -0.125638D+01 -0.437000D+01  0.121219D+01
                51            52            53            54            55 
      1  -0.371058D+01  0.270732D+01  0.129055D+01  0.335471D+01  0.118876D+00
      2  -0.768825D+00  0.158626D+01 -0.281119D+01  0.376599D+01  0.665927D+00
      3  -0.229940D+01 -0.260502D+01 -0.243251D+00  0.153617D+01  0.134759D+01
                56            57            58            59            60 
      1   0.132053D+00  0.252503D+00 -0.293699D+00 -0.826101D+00 -0.134807D+01
      2   0.170201D-01  0.325488D+00  0.930145D+00  0.669697D+00 -0.140295D+01
      3  -0.107192D+01 -0.152118D-02  0.146810D+01  0.493459D+00 -0.750686D+00
                61            62            63            64            65 
      1   0.654328D+00  0.255053D+01  0.338786D+01  0.147936D+01 -0.506482D+00
      2  -0.274063D+01 -0.165518D+01  0.430703D+01  0.489216D+01 -0.954935D+00
      3  -0.133377D+01 -0.138238D+01  0.637810D+00 -0.923399D+01 -0.257791D+01
                66            67            68            69            70 
      1   0.260114D+01 -0.895386D+00  0.894660D+00 -0.864499D+00  0.160653D+01
      2   0.527990D+01 -0.138149D+01  0.669411D+00 -0.463772D+00  0.118223D+01
      3  -0.136242D+01  0.145924D+01  0.962093D+00 -0.149458D+00 -0.127912D+01
                71            72            73            74            75 
      1   0.578842D+00  0.277209D+00 -0.126106D+01  0.354013D+00  0.149382D+00
      2  -0.211999D-01  0.116695D+01 -0.828265D+00 -0.739675D-01  0.898321D-01
      3  -0.121972D+01 -0.157772D+01 -0.864936D+00  0.468082D-01  0.115943D+01
                76            77            78            79            80 
      1   0.106790D+00 -0.250476D+01  0.224155D+01  0.663467D+00  0.454469D+01
      2   0.361469D+00 -0.137469D+01  0.254003D+01 -0.252537D+01  0.919372D+00
      3   0.745714D+00 -0.164500D+00  0.153640D+01  0.134842D+01  0.215010D+01
                81            82            83            84            85 
      1  -0.116944D+02  0.161166D+01  0.988361D+00 -0.201233D+01  0.880491D+00
      2  -0.108605D+02 -0.621427D+00 -0.115325D+01  0.556410D-01 -0.116246D+01
      3  -0.156326D+01  0.578586D+01  0.506868D+01 -0.323728D+00  0.725052D+01
                86            87            88            89            90 
      1   0.358065D+01 -0.331311D+01 -0.796220D+00 -0.104025D+00 -0.288414D+00
      2  -0.176818D+01 -0.617289D+00 -0.107477D+01 -0.792964D+00 -0.796590D+00
      3   0.122826D+02  0.547358D+00 -0.101332D+01  0.116132D+00  0.175805D+01
                91            92            93            94            95 
      1   0.304845D+01  0.114753D+00 -0.179426D+01 -0.479426D+00  0.633008D+00
      2  -0.223402D+01 -0.392535D+00  0.405607D+01  0.361383D+00 -0.565928D+00
      3   0.105683D+02 -0.274706D+01 -0.179460D+01 -0.142256D+00  0.886306D+00
                96            97            98            99           100 
      1  -0.224031D+00 -0.806532D+00 -0.973587D-01  0.635268D+00 -0.875638D-01
      2  -0.171081D+00  0.524000D+00  0.446218D+00 -0.145073D+01  0.286699D+00
      3   0.110247D+01 -0.447446D+01  0.176598D+01  0.216890D+00  0.763478D-01
               101           102           103           104           105 
      1  -0.167696D+00  0.345547D+00 -0.138348D+01 -0.210957D+01 -0.515639D+01
      2   0.366015D+00 -0.156927D+00  0.520876D+00  0.277857D+01  0.426857D+01
      3   0.548140D-01 -0.258623D+00  0.172974D+01 -0.355684D+01 -0.142126D+01
               106           107           108           109           110 
      1  -0.123787D+01 -0.270478D+01 -0.650617D+01 -0.367512D+01 -0.198150D+01
      2  -0.959579D+00  0.439725D+01  0.543849D+01  0.688614D+01  0.236806D+01
      3   0.101663D+01 -0.370796D+01 -0.357235D+01  0.139093D+02  0.700604D+01
               111           112           113           114           115 
      1  -0.133174D+01 -0.236278D+01 -0.151268D+00 -0.188269D+01 -0.405984D+00
      2  -0.163754D+01  0.229673D+01  0.135658D+01 -0.160908D+00 -0.256359D+01
      3   0.150599D+01  0.882456D+01  0.352952D+01  0.404181D+00  0.613659D+00
               116           117 
      1   0.589771D+00  0.866353D+00
      2  -0.909077D+00 -0.897280D+00
      3   0.167143D+00  0.231844D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.269640D+02  0.169435D+02 -0.403068D+01  0.154153D+02  0.113574D+02
      2   0.551047D+01 -0.158810D+02  0.476655D+00 -0.140034D+02 -0.160147D+02
      3   0.214535D+02 -0.106252D+01  0.355402D+01 -0.141196D+01  0.465734D+01
      4   0.216916D+02 -0.141010D+01  0.674798D+01  0.363765D+01 -0.493110D+01
      5  -0.341973D+01  0.147069D+01  0.227336D+01  0.241008D+01 -0.560735D+01
      6   0.465988D+01 -0.435234D+01 -0.941601D+00 -0.495804D+01  0.313006D+01
                 6             7             8             9            10 
      1  -0.195227D+01 -0.722023D+01 -0.854110D+00  0.349739D+01  0.796236D+01
      2  -0.181413D+01  0.135006D+00  0.682548D+00  0.145917D+02 -0.386018D+01
      3   0.376640D+01  0.708522D+01  0.171561D+00 -0.180890D+02 -0.410217D+01
      4  -0.493931D+01  0.106270D+02 -0.720347D+01 -0.879950D+01 -0.105746D+01
      5  -0.674524D+01  0.265394D+01 -0.687376D+01  0.128357D+02  0.158983D-01
      6   0.751221D+01 -0.302062D+01  0.624754D+01 -0.582867D+01 -0.210301D+00
                11            12            13            14            15 
      1   0.218007D+01 -0.358495D+01 -0.597004D+01  0.315678D+01 -0.560930D+01
      2  -0.391837D+01  0.236063D+01  0.355918D+01 -0.314524D+01 -0.197111D+01
      3   0.173831D+01  0.122432D+01  0.241086D+01 -0.115355D-01  0.758041D+01
      4  -0.336501D+01 -0.302941D+01 -0.119372D+02 -0.859489D+00  0.112055D+01
      5  -0.129929D+01 -0.275170D+00 -0.496360D+01  0.663319D+00  0.280023D+01
      6   0.379778D+01 -0.263827D+01  0.208469D+00  0.232423D-02 -0.115305D+02
                16            17            18            19            20 
      1   0.347840D+01 -0.228439D+01  0.827919D+01 -0.163236D+02 -0.333315D+01
      2   0.116867D+01 -0.730400D+01  0.573388D+01  0.767411D+01 -0.674647D+00
      3  -0.464707D+01  0.958840D+01 -0.140131D+02  0.864947D+01  0.400780D+01
      4  -0.498801D+01  0.554634D+01  0.885072D+01 -0.151637D+02 -0.173472D+02
      5  -0.942739D+00  0.649971D+01 -0.853280D+01  0.566405D+01  0.477832D+01
      6   0.347130D+01 -0.322337D+01  0.809883D+01 -0.724708D+00 -0.888054D-01
                21            22            23            24            25 
      1   0.335119D+01 -0.143680D+02 -0.347500D+01 -0.733870D+00  0.381414D+01
      2  -0.176451D+01  0.946523D+01 -0.510329D+01 -0.561180D+01 -0.212587D+01
      3  -0.158668D+01  0.490274D+01  0.857829D+01  0.634567D+01 -0.168828D+01
      4   0.460281D+01 -0.150137D+02 -0.760372D+01 -0.891331D+00  0.757531D+01
      5  -0.115212D+02  0.799542D+01 -0.102621D+00 -0.568068D+01 -0.206536D+01
      6  -0.203736D+01 -0.743343D+00  0.415711D+01 -0.509937D+01  0.100159D+01
                26            27            28            29            30 
      1  -0.115054D+01 -0.586791D+01  0.389848D+02  0.104347D+02 -0.453195D+01
      2   0.551798D+01 -0.698577D+00 -0.198866D+02 -0.697330D+00  0.516783D+01
      3  -0.436744D+01  0.656649D+01 -0.190982D+02 -0.973742D+01 -0.635877D+00
      4  -0.332394D+01 -0.234685D+01  0.253704D+02  0.244065D+02 -0.448374D+01
      5  -0.312916D+00 -0.246480D+00 -0.113333D+02 -0.475202D+01  0.169399D+02
      6   0.430671D+01  0.568219D+01 -0.104267D+01 -0.104660D+01  0.492288D+01
                31            32            33            34            35 
      1   0.125853D+02  0.294870D+01  0.235646D+00 -0.405696D+01  0.899933D+00
      2  -0.275616D+01  0.100898D+02  0.142917D+01  0.380155D+01 -0.576729D-01
      3  -0.982910D+01 -0.130385D+02 -0.166481D+01  0.255408D+00 -0.842261D+00
      4   0.265115D+02  0.273912D+02 -0.440939D+01 -0.365727D+01 -0.316734D+01
      5  -0.448264D+01 -0.517482D+01  0.945663D+01  0.165117D+02  0.812852D+01
      6  -0.259866D+01 -0.220830D+01  0.848714D+01  0.453789D+01  0.711303D+01
                36            37            38            39            40 
      1   0.337593D+01 -0.162147D+02 -0.397082D+01  0.820740D+01  0.986412D+00
      2  -0.672036D+01  0.101810D+02  0.573252D+01 -0.663809D+01  0.236434D+01
      3   0.334442D+01  0.603367D+01 -0.176170D+01 -0.156931D+01 -0.335075D+01
      4   0.884451D+01 -0.774095D+01  0.795944D+01 -0.887464D+00  0.112699D+02
      5  -0.943124D+01  0.530518D+01 -0.272416D+01  0.609868D+01 -0.229977D+01
      6  -0.360400D+01  0.216723D+01 -0.323765D+01  0.178267D+01 -0.127046D+01
                41            42            43            44            45 
      1  -0.467139D+01  0.329860D+01  0.795324D+01  0.258404D+01  0.377846D+01
      2   0.153400D+02 -0.198744D+01 -0.771093D+01 -0.962501D+00 -0.661807D+01
      3  -0.106686D+02 -0.131116D+01 -0.242318D+00 -0.162153D+01  0.283961D+01
      4   0.101209D+02 -0.356277D+01 -0.866565D+00 -0.844867D+01 -0.530501D+01
      5  -0.358895D+01 -0.564648D+01  0.456514D+01 -0.688366D+01 -0.499744D+01
      6  -0.899419D+01  0.249377D+00 -0.133191D+01 -0.534457D+01 -0.121138D+02
                46            47            48            49            50 
      1   0.138250D+02  0.180648D+00 -0.399337D+00  0.343981D+01 -0.527302D+01
      2  -0.741652D+01 -0.459273D+01 -0.231100D+01 -0.638628D+01  0.135568D+02
      3  -0.640845D+01  0.441208D+01  0.271033D+01  0.294648D+01 -0.828381D+01
      4  -0.171438D+02  0.155100D+02 -0.554044D+01  0.103417D+02 -0.148987D+02
      5   0.507075D+01 -0.386063D+01  0.107225D+02 -0.229687D+01  0.427461D+01
      6  -0.345493D+01  0.287517D+01 -0.519405D+01  0.145390D+01 -0.447977D+01
                51            52            53            54            55 
      1   0.265341D+01 -0.145157D+01  0.336365D+01 -0.460397D+01 -0.243692D+00
      2   0.225137D+00 -0.162742D+00 -0.215083D+01 -0.450836D+01 -0.255168D+01
      3  -0.287855D+01  0.161431D+01 -0.121282D+01  0.911234D+01  0.279537D+01
      4   0.283478D+01 -0.305189D+01  0.398054D+01 -0.684272D+01 -0.832290D+00
      5  -0.268342D+01  0.915732D+01 -0.592972D+01  0.942512D+01  0.170097D+01
      6   0.999328D+01 -0.352772D+01  0.860020D+01 -0.731608D+01 -0.232995D+01
                56            57            58            59            60 
      1  -0.696179D+00  0.196927D+01  0.105707D+01 -0.591865D+01  0.514833D+01
      2   0.573978D+00 -0.983535D+00 -0.381046D+00  0.144853D+01  0.381705D+00
      3   0.122201D+00 -0.985733D+00 -0.676027D+00  0.447012D+01 -0.553004D+01
      4   0.302791D+01 -0.135719D+01  0.355397D+01 -0.355046D+01  0.244922D+01
      5  -0.150034D+01  0.649399D+01 -0.875104D+00  0.231660D+01 -0.339525D+01
      6  -0.452655D+00  0.201238D+00  0.467228D+00 -0.631840D+01  0.102147D+02
                61            62            63            64            65 
      1  -0.186071D+00  0.514949D+01 -0.177060D+02  0.449510D+02 -0.875070D+01
      2  -0.808766D+00  0.248935D+01 -0.142257D+02 -0.168210D+02 -0.523527D+00
      3   0.994836D+00 -0.763884D+01  0.319318D+02 -0.281299D+02  0.927423D+01
      4  -0.735724D+00  0.340642D+01 -0.389751D+01 -0.318513D+02  0.166021D+02
      5   0.507950D+01 -0.299024D+01  0.115721D+02 -0.100002D+01  0.664619D+00
      6  -0.138500D+01  0.808192D+01 -0.133571D+02 -0.208128D+01 -0.221523D+00
                66            67            68            69            70 
      1   0.447829D+01 -0.426921D+01  0.315515D+01 -0.268218D+00  0.798815D+01
      2  -0.979401D+00 -0.181018D+01  0.369993D+01 -0.295495D+00 -0.250431D+01
      3  -0.349889D+01  0.607938D+01 -0.685508D+01  0.563713D+00 -0.548384D+01
      4  -0.247053D+01  0.126568D+02 -0.856651D+01  0.190445D+01 -0.621342D+01
      5   0.746467D+01 -0.256334D-02  0.901598D+00 -0.439241D+00  0.735077D+01
      6  -0.450049D+01  0.639549D+00 -0.207309D+00  0.149474D+01 -0.385019D+01
                71            72            73            74            75 
      1  -0.499862D+00  0.408108D+01  0.304782D+01 -0.165160D+01 -0.267112D+01
      2  -0.135570D+01 -0.404279D+01 -0.357496D+01  0.156362D+01  0.183745D+01
      3   0.185556D+01 -0.382877D-01  0.527145D+00  0.879800D-01  0.833671D+00
      4   0.462186D+01 -0.327255D+01 -0.225052D+01  0.851148D+00  0.749250D+00
      5  -0.126174D+01  0.219435D+01 -0.216623D+01 -0.663322D+00  0.529285D+01
      6   0.174170D+01 -0.131885D+01  0.634673D+00  0.833858D+00  0.281044D-04
                76            77            78            79            80 
      1  -0.156194D+00 -0.279666D+01  0.601877D+00 -0.263873D+01 -0.125844D+01
      2   0.236901D+00 -0.907284D-01  0.532529D+01  0.310148D+01  0.465143D+01
      3  -0.807069D-01  0.288739D+01 -0.592717D+01 -0.462751D+00 -0.339299D+01
      4   0.173863D+00  0.251661D+01 -0.231678D+01  0.206450D+01 -0.409104D+01
      5  -0.237513D+01 -0.192219D+01  0.478145D+01  0.710816D+01  0.106299D+01
      6   0.242290D+00 -0.101126D+01  0.224389D+01 -0.106885D+01  0.431649D+01
                81            82            83            84            85 
      1  -0.127047D+02 -0.228500D+01 -0.103444D+02 -0.561928D+00 -0.878839D+01
      2  -0.187618D+02  0.621736D+01  0.143904D+02  0.153379D+00  0.101179D+02
      3   0.314665D+02 -0.393236D+01 -0.404605D+01  0.408549D+00 -0.132954D+01
      4   0.172701D+01  0.240291D+01  0.265752D+01 -0.943837D+00  0.501453D+01
      5  -0.205333D+02  0.197478D+01  0.113065D+01 -0.312847D+00  0.190379D+01
      6   0.134831D+02  0.214795D+00  0.268296D+01  0.334171D+01  0.171038D+01
                86            87            88            89            90 
      1  -0.242717D+02 -0.136306D+01  0.702997D+00  0.424951D-02 -0.418341D+01
      2   0.395462D+02  0.662943D+00 -0.313023D+00 -0.134218D+01  0.250391D+01
      3  -0.152745D+02  0.700117D+00 -0.389974D+00  0.133793D+01  0.167950D+01
      4  -0.611747D+01  0.117143D+00 -0.157301D+01  0.103623D+01  0.650627D+00
      5   0.208053D+01 -0.122776D+01  0.786463D+00 -0.405976D+00 -0.105404D+01
      6   0.551370D+01  0.626370D+01  0.227880D+01  0.607940D+01  0.707868D+00
                91            92            93            94            95 
      1   0.387222D+02  0.390222D+01 -0.598997D+01 -0.592315D+00  0.173774D+01
      2  -0.199565D+02 -0.277766D+00  0.293298D+01  0.133926D+01  0.957320D-01
      3  -0.187657D+02 -0.362446D+01  0.305699D+01 -0.746947D+00 -0.183347D+01
      4   0.174328D+02  0.840733D+01 -0.152348D+01  0.487480D+01  0.100080D+01
      5  -0.269911D+01  0.554558D+00  0.598486D+01  0.162895D+01 -0.628219D+00
      6  -0.233105D+01  0.817771D+00  0.292521D+01  0.689121D+00 -0.133970D+00
                96            97            98            99           100 
      1   0.151824D+01 -0.101563D+02  0.895818D-01  0.269386D+01  0.142142D+01
      2  -0.107214D+01  0.660342D+01 -0.648858D+00 -0.231883D+01 -0.649261D+00
      3  -0.446095D+00  0.355288D+01  0.559276D+00 -0.375024D+00 -0.772160D+00
      4  -0.153003D+00 -0.437326D+01 -0.760718D+00  0.135992D+01  0.330347D+01
      5  -0.107467D+00  0.447465D+01  0.984300D+00 -0.234115D+01  0.190723D+01
      6   0.133474D+01  0.105618D+01  0.192054D+01 -0.873194D+00  0.224827D+01
               101           102           103           104           105 
      1   0.149971D+01  0.140636D+01  0.181041D+01 -0.701356D+01 -0.443420D+01
      2  -0.135279D+00  0.459777D-02 -0.576275D+00  0.801653D+01  0.393925D+01
      3  -0.136443D+01 -0.141096D+01 -0.123414D+01 -0.100296D+01  0.494955D+00
      4   0.438821D+01  0.322454D+01  0.562431D+01  0.965229D+01  0.659996D+01
      5   0.287673D+01  0.273790D+01  0.371934D+01  0.701123D+01  0.923685D+01
      6   0.944160D+00  0.264394D+00  0.372750D+01  0.122886D+02  0.133054D+02
               106           107           108           109           110 
      1   0.182798D+01 -0.688072D+01 -0.960591D+01 -0.631480D+01 -0.345647D+01
      2  -0.781312D+00  0.410568D+01  0.183142D+01  0.484943D+01  0.297133D+01
      3  -0.104667D+01  0.277504D+01  0.777449D+01  0.146538D+01  0.485146D+00
      4   0.489963D+01  0.971569D+01  0.848526D+01  0.804205D+01 -0.316016D+01
      5   0.511447D+01  0.102082D+02  0.123275D+02 -0.133853D+01  0.828902D+00
      6   0.334447D+01  0.152680D+02  0.172063D+02  0.225005D+01 -0.255213D+01
               111           112           113           114           115 
      1   0.193333D+01 -0.261899D+01 -0.795414D+01  0.256835D+01  0.156994D+00
      2  -0.449471D-01  0.176809D+01  0.105972D+02 -0.253844D+01 -0.191141D+00
      3  -0.188838D+01  0.850903D+00 -0.264304D+01 -0.299115D-01  0.341467D-01
      4   0.241621D+01  0.371862D+01 -0.195109D+01  0.928413D+00  0.292696D+00
      5  -0.382508D+01 -0.361893D+00 -0.223728D+00 -0.349600D+00  0.632593D+00
      6   0.187364D+01  0.114006D+00 -0.423389D+01  0.360502D+01  0.697286D+00
               116           117 
      1   0.250066D+01 -0.308353D+01
      2  -0.196171D+01  0.118400D+01
      3  -0.538950D+00  0.189952D+01
      4  -0.131190D+01  0.546097D+00
      5  -0.224929D-01 -0.153639D+01
      6   0.341996D+01 -0.326186D+01
 Leave Link  716 at Thu Aug 12 19:18:55 2021, MaxMem=  6442450944 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.604266D+02  0.220322D+01 -0.318072D+00
      2   0.220322D+01  0.585276D+02 -0.249530D+01
      3  -0.318072D+00 -0.249530D+01  0.480744D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.288333D+01 -0.217578D+01 -0.725940D+01
      2   0.299047D+00 -0.574464D+01 -0.176872D+02
      3  -0.508746D-01  0.125486D+02  0.278460D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.388521D+02  0.323089D+01 -0.369869D+01
      2   0.195454D+02  0.828044D+01  0.330092D+01
      3   0.193067D+02 -0.115113D+02  0.397763D+00
      4   0.226405D+02 -0.270547D+02 -0.176303D+02
      5  -0.155028D+01 -0.176327D+02 -0.339834D+02
      6  -0.108862D+02  0.439583D+01  0.829502D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.654652D+01 -0.237234D+01  0.171999D+01 -0.906733D+00 -0.335516D+01
      2  -0.237234D+01 -0.347378D+01 -0.992401D+00 -0.335516D+01 -0.263227D+01
      3   0.171999D+01 -0.992401D+00 -0.469865D+00 -0.127584D+01  0.114535D+01
                 6             7             8             9            10 
      1  -0.127584D+01  0.338865D+01 -0.153404D+01 -0.429553D+00 -0.432923D+01
      2   0.114535D+01 -0.153404D+01  0.174343D+01  0.238646D+01  0.535906D+00
      3   0.277012D+01 -0.429553D+00  0.238646D+01 -0.565612D+01 -0.110083D+01
                11            12            13            14            15 
      1   0.535906D+00 -0.110083D+01 -0.495951D+00  0.264649D+01  0.142526D+01
      2   0.265522D+01  0.830253D+00  0.264649D+01  0.792391D+00 -0.746953D-01
      3   0.830253D+00  0.438017D+00  0.142526D+01 -0.746953D-01 -0.318452D+01
                16            17            18            19            20 
      1  -0.252056D+01  0.102024D+01  0.510028D+00  0.135061D+01 -0.199308D+01
      2   0.102024D+01 -0.481312D+00 -0.368634D+01 -0.199308D+01 -0.204496D+01
      3   0.510028D+00 -0.368634D+01  0.571145D+01  0.181314D+01  0.840555D+00
                21            22            23            24            25 
      1   0.181314D+01 -0.352936D+01 -0.272877D+01  0.965766D+00  0.239066D+01
      2   0.840555D+00 -0.272877D+01 -0.165458D+01  0.215225D-01  0.110865D+01
      3   0.774527D-01  0.965766D+00  0.215225D-01 -0.212195D+00 -0.218218D+00
                26            27            28            29            30 
      1   0.110865D+01 -0.218218D+00  0.847015D+01  0.403760D+01 -0.203770D+01
      2  -0.141357D+00  0.487415D+00  0.403760D+01  0.351585D+01 -0.880401D+00
      3   0.487415D+00 -0.547404D+00 -0.203770D+01 -0.880401D+00  0.170677D+01
                31            32            33            34            35 
      1   0.442723D+01  0.362029D+01 -0.687990D+00 -0.170491D+01 -0.505120D+00
      2   0.362029D+01  0.699644D+01 -0.119240D+01 -0.505120D+00 -0.886153D+00
      3  -0.687990D+00 -0.119240D+01  0.187605D+01  0.281116D+01  0.212096D+01
                36            37            38            39            40 
      1   0.281116D+01  0.482620D+01 -0.680097D+00 -0.680831D+00 -0.847428D+00
      2   0.212096D+01 -0.680097D+00 -0.112533D+01  0.554412D+00 -0.120042D+01
      3  -0.227030D+01 -0.680831D+00  0.554412D+00 -0.275253D+00  0.333747D+00
                41            42            43            44            45 
      1  -0.120042D+01  0.333747D+00 -0.871382D+00  0.852056D+00 -0.214795D+00
      2  -0.323864D+01  0.122269D+01  0.852056D+00  0.300109D+01  0.228104D+01
      3   0.122269D+01  0.232893D+01 -0.214795D+00  0.228104D+01  0.232501D+01
                46            47            48            49            50 
      1   0.616301D+01 -0.943065D+00  0.185532D+01  0.188515D+01  0.252852D+01
      2  -0.943065D+00  0.282863D+01 -0.919506D+00  0.252852D+01 -0.356032D+01
      3   0.185532D+01 -0.919506D+00  0.106307D+01 -0.102190D+00  0.749419D+00
                51            52            53            54            55 
      1  -0.102190D+00  0.413731D+00 -0.929697D+00  0.956142D+00  0.150280D+00
      2   0.749419D+00 -0.929697D+00  0.894482D+00 -0.179719D+01  0.391450D+00
      3  -0.545112D+00  0.956142D+00 -0.179719D+01  0.253658D+01 -0.108237D+01
                56            57            58            59            60 
      1   0.391450D+00 -0.108237D+01  0.620769D+00 -0.515743D+00 -0.118322D+00
      2  -0.516940D+00 -0.142202D+00 -0.515743D+00  0.179481D+01 -0.161130D+01
      3  -0.142202D+00 -0.403717D+00 -0.118322D+00 -0.161130D+01  0.226997D+01
                61            62            63            64            65 
      1  -0.118042D+01 -0.182733D+00 -0.332136D+00 -0.956999D+01  0.265646D+01
      2  -0.182733D+00 -0.215840D+01  0.216762D+01  0.265646D+01 -0.195408D+01
      3  -0.332136D+00  0.216762D+01 -0.831510D+01 -0.738616D+00  0.665740D-01
                66            67            68            69            70 
      1  -0.738616D+00  0.137342D+01 -0.134468D+01  0.293690D+00 -0.209429D+01
      2   0.665740D-01 -0.134468D+01  0.160050D+01 -0.335553D+00  0.635098D+00
      3  -0.137813D+01  0.293690D+00 -0.335553D+00 -0.281299D-02 -0.120596D+01
                71            72            73            74            75 
      1   0.635098D+00 -0.120596D+01 -0.728200D+00  0.100458D+00  0.867216D+00
      2  -0.911616D+00  0.918111D-01  0.100458D+00  0.469612D+00  0.167431D+00
      3   0.918111D-01 -0.158459D+00  0.867216D+00  0.167431D+00  0.114612D+00
                76            77            78            79            80 
      1  -0.442818D+00  0.345734D+00  0.389196D+00  0.119248D+01 -0.303072D-01
      2   0.345734D+00 -0.549100D+00  0.884678D+00 -0.303072D-01  0.153342D+01
      3   0.389196D+00  0.884678D+00 -0.199248D+01 -0.735386D+00 -0.306427D+00
                81            82            83            84            85 
      1  -0.735386D+00  0.111520D+01  0.145162D+01 -0.179816D+00  0.172232D+01
      2  -0.306427D+00  0.145162D+01  0.297116D+01  0.436092D+00  0.169555D+01
      3   0.837807D+01 -0.179816D+00  0.436092D+00  0.835127D+00  0.115239D+00
                86            87            88            89            90 
      1   0.169555D+01  0.115239D+00 -0.445864D+00  0.258095D+00  0.374074D+00
      2   0.746050D+01  0.329961D+00  0.258095D+00 -0.390823D+00  0.803336D+00
      3   0.329961D+00  0.917030D+00  0.374074D+00  0.803336D+00  0.489804D+00
                91            92            93            94            95 
      1  -0.867110D+01 -0.140562D+01  0.106093D+01 -0.184535D+00 -0.590616D+00
      2  -0.140562D+01 -0.158944D+01 -0.211827D+00 -0.590616D+00 -0.263673D+00
      3   0.106093D+01 -0.211827D+00 -0.126286D+01 -0.340023D+00  0.136760D+00
                96            97            98            99           100 
      1  -0.340023D+00  0.261511D+01 -0.289560D-01 -0.749603D+00 -0.465368D+00
      2   0.136760D+00 -0.289560D-01  0.544048D+00 -0.333803D+00 -0.755607D+00
      3  -0.620216D-01 -0.749603D+00 -0.333803D+00  0.554714D+00 -0.538663D+00
               101           102           103           104           105 
      1  -0.755607D+00 -0.538663D+00 -0.105624D+01 -0.815784D+00 -0.758730D+00
      2  -0.257845D+00 -0.394425D+00 -0.815784D+00 -0.354519D+01 -0.218402D+01
      3  -0.394425D+00  0.200974D+00 -0.758730D+00 -0.218402D+01 -0.299855D+01
               106           107           108           109           110 
      1  -0.118292D+01 -0.875316D+00 -0.756299D+00 -0.485808D+01 -0.102368D+01
      2  -0.875316D+00 -0.362220D+01 -0.343452D+01 -0.102368D+01 -0.147809D+01
      3  -0.756299D+00 -0.343452D+01 -0.431718D+01 -0.957786D+00  0.645446D+00
               111           112           113           114           115 
      1  -0.957786D+00 -0.256583D+01 -0.285424D+00 -0.239809D+00 -0.282021D-03
      2   0.645446D+00 -0.285424D+00 -0.320088D+01  0.907604D+00  0.212025D+00
      3  -0.646204D+00 -0.239809D+00  0.907604D+00 -0.116441D+01 -0.945012D-02
               116           117 
      1   0.212025D+00 -0.945012D-02
      2   0.875393D+00 -0.780354D+00
      3  -0.780354D+00  0.126893D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.397156D+01 -0.896541D+00  0.151246D-01  0.820931D+00 -0.497102D+01
      2  -0.544882D+01  0.355227D+01  0.228727D+01  0.369404D+01  0.270187D+00
      3   0.475139D+01 -0.106534D+02  0.100613D+01 -0.430457D+01 -0.107075D+02
                 6             7             8             9            10 
      1  -0.675261D+01 -0.199077D+00 -0.407838D+00  0.958203D+01  0.504612D+00
      2  -0.328249D+01 -0.232288D+01 -0.256362D+01  0.763362D+01 -0.454442D+01
      3  -0.611993D+00  0.150123D+01  0.148476D+00  0.329323D+01 -0.284215D+01
                11            12            13            14            15 
      1  -0.916585D+00  0.173961D+01  0.634234D+00 -0.206403D+01  0.201213D+01
      2   0.182473D+01  0.297794D+01 -0.114930D+01  0.133676D+01  0.147476D+01
      3  -0.239096D+01 -0.235332D+01  0.286304D+01  0.447524D+01 -0.172936D+01
                16            17            18            19            20 
      1  -0.129389D+00  0.509782D+01 -0.753564D+00  0.202796D+01  0.155428D+00
      2  -0.548491D+01  0.258295D+01 -0.200840D+01  0.441879D+01 -0.342322D+01
      3  -0.109439D+01 -0.198583D+00 -0.200106D+01 -0.218554D+01  0.473091D+01
                21            22            23            24            25 
      1   0.204804D+01 -0.286794D+01  0.748603D+01  0.288360D+01 -0.357615D+01
      2  -0.617865D+01 -0.669081D+01  0.633550D+00 -0.301458D+01 -0.142687D+02
      3   0.158170D+01  0.801329D+01  0.455500D+01  0.141451D+01  0.504284D+01
                26            27            28            29            30 
      1   0.716294D+01 -0.741152D+01 -0.752746D+00 -0.209042D+01 -0.422937D+01
      2   0.132033D+01 -0.153889D+01  0.118434D+01  0.248505D+00  0.874930D+01
      3  -0.941360D-02  0.125158D+01  0.139823D+01 -0.104519D+02  0.794850D+00
                31            32            33            34            35 
      1   0.838057D+00 -0.298494D+01 -0.599442D+01  0.163610D+01  0.255320D+01
      2   0.387791D+01 -0.166911D+01  0.438273D+01  0.218481D+01  0.175023D+01
      3   0.157785D+01 -0.107869D+02  0.766811D+00 -0.132383D+01  0.119296D+01
                36            37            38            39            40 
      1   0.192109D+01 -0.200053D+01  0.231665D+01 -0.103119D+01  0.208190D+01
      2  -0.188525D+01  0.154320D+01 -0.142432D+01  0.339090D+01 -0.990968D+00
      3  -0.347168D+01 -0.107862D+02 -0.683589D+01  0.255066D+01  0.509770D+01
                41            42            43            44            45 
      1   0.526655D+01 -0.192237D+01  0.983407D+00  0.820738D+01  0.538137D+01
      2  -0.281908D+01 -0.278421D+01 -0.374982D+01 -0.376203D+01 -0.271469D+01
      3  -0.208184D+01  0.103064D+01  0.360110D+01  0.122052D+01  0.326049D+01
                46            47            48            49            50 
      1   0.295766D+01  0.249796D+01  0.324755D+01  0.308234D+01 -0.100340D+01
      2  -0.636236D+01 -0.220018D+01  0.479227D+01 -0.667520D+00  0.482239D+00
      3  -0.130241D+02 -0.943988D+01 -0.125638D+01 -0.437000D+01  0.121219D+01
                51            52            53            54            55 
      1  -0.371058D+01  0.270732D+01  0.129055D+01  0.335471D+01  0.118876D+00
      2  -0.768825D+00  0.158626D+01 -0.281119D+01  0.376599D+01  0.665927D+00
      3  -0.229940D+01 -0.260502D+01 -0.243251D+00  0.153617D+01  0.134759D+01
                56            57            58            59            60 
      1   0.132053D+00  0.252503D+00 -0.293699D+00 -0.826101D+00 -0.134807D+01
      2   0.170201D-01  0.325488D+00  0.930145D+00  0.669697D+00 -0.140295D+01
      3  -0.107192D+01 -0.152118D-02  0.146810D+01  0.493459D+00 -0.750686D+00
                61            62            63            64            65 
      1   0.654328D+00  0.255053D+01  0.338786D+01  0.147936D+01 -0.506482D+00
      2  -0.274063D+01 -0.165518D+01  0.430703D+01  0.489216D+01 -0.954935D+00
      3  -0.133377D+01 -0.138238D+01  0.637810D+00 -0.923399D+01 -0.257791D+01
                66            67            68            69            70 
      1   0.260114D+01 -0.895386D+00  0.894660D+00 -0.864499D+00  0.160653D+01
      2   0.527990D+01 -0.138149D+01  0.669411D+00 -0.463772D+00  0.118223D+01
      3  -0.136242D+01  0.145924D+01  0.962093D+00 -0.149458D+00 -0.127912D+01
                71            72            73            74            75 
      1   0.578842D+00  0.277209D+00 -0.126106D+01  0.354013D+00  0.149382D+00
      2  -0.211999D-01  0.116695D+01 -0.828265D+00 -0.739675D-01  0.898321D-01
      3  -0.121972D+01 -0.157772D+01 -0.864936D+00  0.468082D-01  0.115943D+01
                76            77            78            79            80 
      1   0.106790D+00 -0.250476D+01  0.224155D+01  0.663467D+00  0.454469D+01
      2   0.361469D+00 -0.137469D+01  0.254003D+01 -0.252537D+01  0.919372D+00
      3   0.745714D+00 -0.164500D+00  0.153640D+01  0.134842D+01  0.215010D+01
                81            82            83            84            85 
      1  -0.116944D+02  0.161166D+01  0.988361D+00 -0.201233D+01  0.880491D+00
      2  -0.108605D+02 -0.621427D+00 -0.115325D+01  0.556410D-01 -0.116246D+01
      3  -0.156326D+01  0.578586D+01  0.506868D+01 -0.323728D+00  0.725052D+01
                86            87            88            89            90 
      1   0.358065D+01 -0.331311D+01 -0.796220D+00 -0.104025D+00 -0.288414D+00
      2  -0.176818D+01 -0.617289D+00 -0.107477D+01 -0.792964D+00 -0.796590D+00
      3   0.122826D+02  0.547358D+00 -0.101332D+01  0.116132D+00  0.175805D+01
                91            92            93            94            95 
      1   0.304845D+01  0.114753D+00 -0.179426D+01 -0.479426D+00  0.633008D+00
      2  -0.223402D+01 -0.392535D+00  0.405607D+01  0.361383D+00 -0.565928D+00
      3   0.105683D+02 -0.274706D+01 -0.179460D+01 -0.142256D+00  0.886306D+00
                96            97            98            99           100 
      1  -0.224031D+00 -0.806532D+00 -0.973587D-01  0.635268D+00 -0.875638D-01
      2  -0.171081D+00  0.524000D+00  0.446218D+00 -0.145073D+01  0.286699D+00
      3   0.110247D+01 -0.447446D+01  0.176598D+01  0.216890D+00  0.763478D-01
               101           102           103           104           105 
      1  -0.167696D+00  0.345547D+00 -0.138348D+01 -0.210957D+01 -0.515639D+01
      2   0.366015D+00 -0.156927D+00  0.520876D+00  0.277857D+01  0.426857D+01
      3   0.548140D-01 -0.258623D+00  0.172974D+01 -0.355684D+01 -0.142126D+01
               106           107           108           109           110 
      1  -0.123787D+01 -0.270478D+01 -0.650617D+01 -0.367512D+01 -0.198150D+01
      2  -0.959579D+00  0.439725D+01  0.543849D+01  0.688614D+01  0.236806D+01
      3   0.101663D+01 -0.370796D+01 -0.357235D+01  0.139093D+02  0.700604D+01
               111           112           113           114           115 
      1  -0.133174D+01 -0.236278D+01 -0.151268D+00 -0.188269D+01 -0.405984D+00
      2  -0.163754D+01  0.229673D+01  0.135658D+01 -0.160908D+00 -0.256359D+01
      3   0.150599D+01  0.882456D+01  0.352952D+01  0.404181D+00  0.613659D+00
               116           117 
      1   0.589771D+00  0.866353D+00
      2  -0.909077D+00 -0.897280D+00
      3   0.167143D+00  0.231844D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.269640D+02  0.169435D+02 -0.403068D+01  0.154153D+02  0.113574D+02
      2   0.551047D+01 -0.158810D+02  0.476655D+00 -0.140034D+02 -0.160147D+02
      3   0.214535D+02 -0.106252D+01  0.355402D+01 -0.141196D+01  0.465734D+01
      4   0.216916D+02 -0.141010D+01  0.674798D+01  0.363765D+01 -0.493110D+01
      5  -0.341973D+01  0.147069D+01  0.227336D+01  0.241008D+01 -0.560735D+01
      6   0.465988D+01 -0.435234D+01 -0.941601D+00 -0.495804D+01  0.313006D+01
                 6             7             8             9            10 
      1  -0.195227D+01 -0.722023D+01 -0.854110D+00  0.349739D+01  0.796236D+01
      2  -0.181413D+01  0.135006D+00  0.682548D+00  0.145917D+02 -0.386018D+01
      3   0.376640D+01  0.708522D+01  0.171561D+00 -0.180890D+02 -0.410217D+01
      4  -0.493931D+01  0.106270D+02 -0.720347D+01 -0.879950D+01 -0.105746D+01
      5  -0.674524D+01  0.265394D+01 -0.687376D+01  0.128357D+02  0.158983D-01
      6   0.751221D+01 -0.302062D+01  0.624754D+01 -0.582867D+01 -0.210301D+00
                11            12            13            14            15 
      1   0.218007D+01 -0.358495D+01 -0.597004D+01  0.315678D+01 -0.560930D+01
      2  -0.391837D+01  0.236063D+01  0.355918D+01 -0.314524D+01 -0.197111D+01
      3   0.173831D+01  0.122432D+01  0.241086D+01 -0.115355D-01  0.758041D+01
      4  -0.336501D+01 -0.302941D+01 -0.119372D+02 -0.859489D+00  0.112055D+01
      5  -0.129929D+01 -0.275170D+00 -0.496360D+01  0.663319D+00  0.280023D+01
      6   0.379778D+01 -0.263827D+01  0.208469D+00  0.232423D-02 -0.115305D+02
                16            17            18            19            20 
      1   0.347840D+01 -0.228439D+01  0.827919D+01 -0.163236D+02 -0.333315D+01
      2   0.116867D+01 -0.730400D+01  0.573388D+01  0.767411D+01 -0.674647D+00
      3  -0.464707D+01  0.958840D+01 -0.140131D+02  0.864947D+01  0.400780D+01
      4  -0.498801D+01  0.554634D+01  0.885072D+01 -0.151637D+02 -0.173472D+02
      5  -0.942739D+00  0.649971D+01 -0.853280D+01  0.566405D+01  0.477832D+01
      6   0.347130D+01 -0.322337D+01  0.809883D+01 -0.724708D+00 -0.888054D-01
                21            22            23            24            25 
      1   0.335119D+01 -0.143680D+02 -0.347500D+01 -0.733870D+00  0.381414D+01
      2  -0.176451D+01  0.946523D+01 -0.510329D+01 -0.561180D+01 -0.212587D+01
      3  -0.158668D+01  0.490274D+01  0.857829D+01  0.634567D+01 -0.168828D+01
      4   0.460281D+01 -0.150137D+02 -0.760372D+01 -0.891331D+00  0.757531D+01
      5  -0.115212D+02  0.799542D+01 -0.102621D+00 -0.568068D+01 -0.206536D+01
      6  -0.203736D+01 -0.743343D+00  0.415711D+01 -0.509937D+01  0.100159D+01
                26            27            28            29            30 
      1  -0.115054D+01 -0.586791D+01  0.389848D+02  0.104347D+02 -0.453195D+01
      2   0.551798D+01 -0.698577D+00 -0.198866D+02 -0.697330D+00  0.516783D+01
      3  -0.436744D+01  0.656649D+01 -0.190982D+02 -0.973742D+01 -0.635877D+00
      4  -0.332394D+01 -0.234685D+01  0.253704D+02  0.244065D+02 -0.448374D+01
      5  -0.312916D+00 -0.246480D+00 -0.113333D+02 -0.475202D+01  0.169399D+02
      6   0.430671D+01  0.568219D+01 -0.104267D+01 -0.104660D+01  0.492288D+01
                31            32            33            34            35 
      1   0.125853D+02  0.294870D+01  0.235646D+00 -0.405696D+01  0.899933D+00
      2  -0.275616D+01  0.100898D+02  0.142917D+01  0.380155D+01 -0.576729D-01
      3  -0.982910D+01 -0.130385D+02 -0.166481D+01  0.255408D+00 -0.842261D+00
      4   0.265115D+02  0.273912D+02 -0.440939D+01 -0.365727D+01 -0.316734D+01
      5  -0.448264D+01 -0.517482D+01  0.945663D+01  0.165117D+02  0.812852D+01
      6  -0.259866D+01 -0.220830D+01  0.848714D+01  0.453789D+01  0.711303D+01
                36            37            38            39            40 
      1   0.337593D+01 -0.162147D+02 -0.397082D+01  0.820740D+01  0.986412D+00
      2  -0.672036D+01  0.101810D+02  0.573252D+01 -0.663809D+01  0.236434D+01
      3   0.334442D+01  0.603367D+01 -0.176170D+01 -0.156931D+01 -0.335075D+01
      4   0.884451D+01 -0.774095D+01  0.795944D+01 -0.887464D+00  0.112699D+02
      5  -0.943124D+01  0.530518D+01 -0.272416D+01  0.609868D+01 -0.229977D+01
      6  -0.360400D+01  0.216723D+01 -0.323765D+01  0.178267D+01 -0.127046D+01
                41            42            43            44            45 
      1  -0.467139D+01  0.329860D+01  0.795324D+01  0.258404D+01  0.377846D+01
      2   0.153400D+02 -0.198744D+01 -0.771093D+01 -0.962501D+00 -0.661807D+01
      3  -0.106686D+02 -0.131116D+01 -0.242318D+00 -0.162153D+01  0.283961D+01
      4   0.101209D+02 -0.356277D+01 -0.866565D+00 -0.844867D+01 -0.530501D+01
      5  -0.358895D+01 -0.564648D+01  0.456514D+01 -0.688366D+01 -0.499744D+01
      6  -0.899419D+01  0.249377D+00 -0.133191D+01 -0.534457D+01 -0.121138D+02
                46            47            48            49            50 
      1   0.138250D+02  0.180648D+00 -0.399337D+00  0.343981D+01 -0.527302D+01
      2  -0.741652D+01 -0.459273D+01 -0.231100D+01 -0.638628D+01  0.135568D+02
      3  -0.640845D+01  0.441208D+01  0.271033D+01  0.294648D+01 -0.828381D+01
      4  -0.171438D+02  0.155100D+02 -0.554044D+01  0.103417D+02 -0.148987D+02
      5   0.507075D+01 -0.386063D+01  0.107225D+02 -0.229687D+01  0.427461D+01
      6  -0.345493D+01  0.287517D+01 -0.519405D+01  0.145390D+01 -0.447977D+01
                51            52            53            54            55 
      1   0.265341D+01 -0.145157D+01  0.336365D+01 -0.460397D+01 -0.243692D+00
      2   0.225137D+00 -0.162742D+00 -0.215083D+01 -0.450836D+01 -0.255168D+01
      3  -0.287855D+01  0.161431D+01 -0.121282D+01  0.911234D+01  0.279537D+01
      4   0.283478D+01 -0.305189D+01  0.398054D+01 -0.684272D+01 -0.832290D+00
      5  -0.268342D+01  0.915732D+01 -0.592972D+01  0.942512D+01  0.170097D+01
      6   0.999328D+01 -0.352772D+01  0.860020D+01 -0.731608D+01 -0.232995D+01
                56            57            58            59            60 
      1  -0.696179D+00  0.196927D+01  0.105707D+01 -0.591865D+01  0.514833D+01
      2   0.573978D+00 -0.983535D+00 -0.381046D+00  0.144853D+01  0.381705D+00
      3   0.122201D+00 -0.985733D+00 -0.676027D+00  0.447012D+01 -0.553004D+01
      4   0.302791D+01 -0.135719D+01  0.355397D+01 -0.355046D+01  0.244922D+01
      5  -0.150034D+01  0.649399D+01 -0.875104D+00  0.231660D+01 -0.339525D+01
      6  -0.452655D+00  0.201238D+00  0.467228D+00 -0.631840D+01  0.102147D+02
                61            62            63            64            65 
      1  -0.186071D+00  0.514949D+01 -0.177060D+02  0.449510D+02 -0.875070D+01
      2  -0.808766D+00  0.248935D+01 -0.142257D+02 -0.168210D+02 -0.523527D+00
      3   0.994836D+00 -0.763884D+01  0.319318D+02 -0.281299D+02  0.927423D+01
      4  -0.735724D+00  0.340642D+01 -0.389751D+01 -0.318513D+02  0.166021D+02
      5   0.507950D+01 -0.299024D+01  0.115721D+02 -0.100002D+01  0.664619D+00
      6  -0.138500D+01  0.808192D+01 -0.133571D+02 -0.208128D+01 -0.221523D+00
                66            67            68            69            70 
      1   0.447829D+01 -0.426921D+01  0.315515D+01 -0.268218D+00  0.798815D+01
      2  -0.979401D+00 -0.181018D+01  0.369993D+01 -0.295495D+00 -0.250431D+01
      3  -0.349889D+01  0.607938D+01 -0.685508D+01  0.563713D+00 -0.548384D+01
      4  -0.247053D+01  0.126568D+02 -0.856651D+01  0.190445D+01 -0.621342D+01
      5   0.746467D+01 -0.256334D-02  0.901598D+00 -0.439241D+00  0.735077D+01
      6  -0.450049D+01  0.639549D+00 -0.207309D+00  0.149474D+01 -0.385019D+01
                71            72            73            74            75 
      1  -0.499862D+00  0.408108D+01  0.304782D+01 -0.165160D+01 -0.267112D+01
      2  -0.135570D+01 -0.404279D+01 -0.357496D+01  0.156362D+01  0.183745D+01
      3   0.185556D+01 -0.382877D-01  0.527145D+00  0.879800D-01  0.833671D+00
      4   0.462186D+01 -0.327255D+01 -0.225052D+01  0.851148D+00  0.749250D+00
      5  -0.126174D+01  0.219435D+01 -0.216623D+01 -0.663322D+00  0.529285D+01
      6   0.174170D+01 -0.131885D+01  0.634673D+00  0.833858D+00  0.281044D-04
                76            77            78            79            80 
      1  -0.156194D+00 -0.279666D+01  0.601877D+00 -0.263873D+01 -0.125844D+01
      2   0.236901D+00 -0.907284D-01  0.532529D+01  0.310148D+01  0.465143D+01
      3  -0.807069D-01  0.288739D+01 -0.592717D+01 -0.462751D+00 -0.339299D+01
      4   0.173863D+00  0.251661D+01 -0.231678D+01  0.206450D+01 -0.409104D+01
      5  -0.237513D+01 -0.192219D+01  0.478145D+01  0.710816D+01  0.106299D+01
      6   0.242290D+00 -0.101126D+01  0.224389D+01 -0.106885D+01  0.431649D+01
                81            82            83            84            85 
      1  -0.127047D+02 -0.228500D+01 -0.103444D+02 -0.561928D+00 -0.878839D+01
      2  -0.187618D+02  0.621736D+01  0.143904D+02  0.153379D+00  0.101179D+02
      3   0.314665D+02 -0.393236D+01 -0.404605D+01  0.408549D+00 -0.132954D+01
      4   0.172701D+01  0.240291D+01  0.265752D+01 -0.943837D+00  0.501453D+01
      5  -0.205333D+02  0.197478D+01  0.113065D+01 -0.312847D+00  0.190379D+01
      6   0.134831D+02  0.214795D+00  0.268296D+01  0.334171D+01  0.171038D+01
                86            87            88            89            90 
      1  -0.242717D+02 -0.136306D+01  0.702997D+00  0.424951D-02 -0.418341D+01
      2   0.395462D+02  0.662943D+00 -0.313023D+00 -0.134218D+01  0.250391D+01
      3  -0.152745D+02  0.700117D+00 -0.389974D+00  0.133793D+01  0.167950D+01
      4  -0.611747D+01  0.117143D+00 -0.157301D+01  0.103623D+01  0.650627D+00
      5   0.208053D+01 -0.122776D+01  0.786463D+00 -0.405976D+00 -0.105404D+01
      6   0.551370D+01  0.626370D+01  0.227880D+01  0.607940D+01  0.707868D+00
                91            92            93            94            95 
      1   0.387222D+02  0.390222D+01 -0.598997D+01 -0.592315D+00  0.173774D+01
      2  -0.199565D+02 -0.277766D+00  0.293298D+01  0.133926D+01  0.957320D-01
      3  -0.187657D+02 -0.362446D+01  0.305699D+01 -0.746947D+00 -0.183347D+01
      4   0.174328D+02  0.840733D+01 -0.152348D+01  0.487480D+01  0.100080D+01
      5  -0.269911D+01  0.554558D+00  0.598486D+01  0.162895D+01 -0.628219D+00
      6  -0.233105D+01  0.817771D+00  0.292521D+01  0.689121D+00 -0.133970D+00
                96            97            98            99           100 
      1   0.151824D+01 -0.101563D+02  0.895818D-01  0.269386D+01  0.142142D+01
      2  -0.107214D+01  0.660342D+01 -0.648858D+00 -0.231883D+01 -0.649261D+00
      3  -0.446095D+00  0.355288D+01  0.559276D+00 -0.375024D+00 -0.772160D+00
      4  -0.153003D+00 -0.437326D+01 -0.760718D+00  0.135992D+01  0.330347D+01
      5  -0.107467D+00  0.447465D+01  0.984300D+00 -0.234115D+01  0.190723D+01
      6   0.133474D+01  0.105618D+01  0.192054D+01 -0.873194D+00  0.224827D+01
               101           102           103           104           105 
      1   0.149971D+01  0.140636D+01  0.181041D+01 -0.701356D+01 -0.443420D+01
      2  -0.135279D+00  0.459777D-02 -0.576275D+00  0.801653D+01  0.393925D+01
      3  -0.136443D+01 -0.141096D+01 -0.123414D+01 -0.100296D+01  0.494955D+00
      4   0.438821D+01  0.322454D+01  0.562431D+01  0.965229D+01  0.659996D+01
      5   0.287673D+01  0.273790D+01  0.371934D+01  0.701123D+01  0.923685D+01
      6   0.944160D+00  0.264394D+00  0.372750D+01  0.122886D+02  0.133054D+02
               106           107           108           109           110 
      1   0.182798D+01 -0.688072D+01 -0.960591D+01 -0.631480D+01 -0.345647D+01
      2  -0.781312D+00  0.410568D+01  0.183142D+01  0.484943D+01  0.297133D+01
      3  -0.104667D+01  0.277504D+01  0.777449D+01  0.146538D+01  0.485146D+00
      4   0.489963D+01  0.971569D+01  0.848526D+01  0.804205D+01 -0.316016D+01
      5   0.511447D+01  0.102082D+02  0.123275D+02 -0.133853D+01  0.828902D+00
      6   0.334447D+01  0.152680D+02  0.172063D+02  0.225005D+01 -0.255213D+01
               111           112           113           114           115 
      1   0.193333D+01 -0.261899D+01 -0.795414D+01  0.256835D+01  0.156994D+00
      2  -0.449471D-01  0.176809D+01  0.105972D+02 -0.253844D+01 -0.191141D+00
      3  -0.188838D+01  0.850903D+00 -0.264304D+01 -0.299115D-01  0.341467D-01
      4   0.241621D+01  0.371862D+01 -0.195109D+01  0.928413D+00  0.292696D+00
      5  -0.382508D+01 -0.361893D+00 -0.223728D+00 -0.349600D+00  0.632593D+00
      6   0.187364D+01  0.114006D+00 -0.423389D+01  0.360502D+01  0.697286D+00
               116           117 
      1   0.250066D+01 -0.308353D+01
      2  -0.196171D+01  0.118400D+01
      3  -0.538950D+00  0.189952D+01
      4  -0.131190D+01  0.546097D+00
      5  -0.224929D-01 -0.153639D+01
      6   0.341996D+01 -0.326186D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.212736D+01      0.540721D+01      0.180365D+02
   x         -0.204539D+01     -0.519886D+01     -0.173415D+02
   y         -0.532799D+00     -0.135424D+01     -0.451726D+01
   z         -0.241207D+00     -0.613088D+00     -0.204504D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.508228D+02      0.753117D+01      0.837955D+01
   aniso      0.122820D+02      0.182000D+01      0.202502D+01
   xx         0.553894D+02      0.820786D+01      0.913248D+01
   yx         0.207467D+01      0.307434D+00      0.342067D+00
   yy         0.536254D+02      0.794646D+01      0.884163D+01
   zx        -0.370775D+00     -0.549432D-01     -0.611326D-01
   zy        -0.208194D+01     -0.308512D+00     -0.343266D+00
   zz         0.434537D+02      0.643917D+01      0.716455D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.556762D+02      0.825036D+01      0.917976D+01
   aniso      0.128946D+02      0.191078D+01      0.212603D+01
   xx         0.604266D+02      0.895430D+01      0.996300D+01
   yx         0.220322D+01      0.326484D+00      0.363263D+00
   yy         0.585276D+02      0.867289D+01      0.964989D+01
   zx        -0.318072D+00     -0.471335D-01     -0.524430D-01
   zy        -0.249530D+01     -0.369765D+00     -0.411419D+00
   zz         0.480744D+02      0.712389D+01      0.792640D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.79452114         -2.46004239          1.55593743
     6          0.50634895         -0.77050280          1.13414793
     6          0.42959403          0.24303526         -1.58861138
     8          0.87480461         -1.05583051         -3.39401842
     7          0.50627791          1.35027491          2.92599172
     8         -0.24153940          2.67602014         -1.76390328
     1          2.21607941         -1.92159272          1.27192067
     1         -1.69942173         -3.35526120          3.41214081
     1         -3.53367694         -1.35457945          1.44456726
     1         -1.86287010         -3.93023335          0.11966351
     1         -0.42693113          0.92198369          4.53810353
     1          2.27951136          1.89426448          3.39406366
     1         -0.43128308          3.25706455         -0.00786061

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.212736D+01      0.540721D+01      0.180365D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.212736D+01      0.540721D+01      0.180365D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.508228D+02      0.753117D+01      0.837955D+01
   aniso      0.122820D+02      0.182000D+01      0.202502D+01
   xx         0.433761D+02      0.642768D+01      0.715176D+01
   yx         0.369938D+00      0.548191D-01      0.609945D-01
   yy         0.531669D+02      0.787853D+01      0.876605D+01
   zx        -0.194149D+01     -0.287699D+00     -0.320109D+00
   zy         0.169820D+01      0.251647D+00      0.279995D+00
   zz         0.559254D+02      0.828729D+01      0.922085D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.556762D+02      0.825036D+01      0.917976D+01
   aniso      0.128946D+02      0.191078D+01      0.212603D+01
   xx         0.478235D+02      0.708671D+01      0.788503D+01
   yx         0.547001D-01      0.810572D-02      0.901883D-02
   yy         0.582064D+02      0.862530D+01      0.959694D+01
   zx        -0.203490D+01     -0.301541D+00     -0.335510D+00
   zy         0.175552D+01      0.260141D+00      0.289446D+00
   zz         0.609987D+02      0.903907D+01      0.100573D+02

 ----------------------------------------------------------------------
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 0000353\\\@


 NOTHING WILL BE ATTEMPTED IF ALL POSSIBLE OBJECTIONS
 MUST FIRST BE OVERCOME.

                               -- THE GOLDEN PRINCIPLE,
                    PAUL DICKSON'S "THE OFFICIAL RULES"
 Job cpu time:       0 days  1 hours 29 minutes 25.9 seconds.
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 Normal termination of Gaussian 16 at Thu Aug 12 19:18:55 2021.
